#------------------------------------------------------------------------------
#$Date: 2016-03-21 01:21:50 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178377 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/19/4001923.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4001923
loop_
_publ_author_name
'Forbes, Scott'
'Yuan, Fang'
'Saparov, Bayrammurad'
'Sefat, Athena S.'
'Kosuda, Kosuke'
'Kolodiazhnyi, Taras'
'Mozharivskyj, Yurij'
_publ_section_title
;
 Synthesis, Crystal Structure, and Electronic Properties of the
 CaRE3SbO4and Ca2RE8Sb3O10phases (RE = Rare-Earth Metal)
;
_journal_issue                   7
_journal_name_full               'Chemistry of Materials'
_journal_page_first              2289
_journal_paper_doi               10.1021/cm500157y
_journal_volume                  26
_journal_year                    2014
_chemical_formula_sum            'Ca2.24 Nd7.76 O10 Sb2.97'
_chemical_formula_weight         1730.59
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.47(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.605(3)
_cell_length_b                   3.8884(8)
_cell_length_c                   17.594(4)
_cell_measurement_reflns_used    18831
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      34.73
_cell_measurement_theta_min      3.00
_cell_volume                     929.0(4)
_computing_cell_refinement       X-Area
_computing_data_collection       X-Area
_computing_data_reduction        X-Red32
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0614
_diffrn_reflns_av_sigmaI/netI    0.0336
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            18831
_diffrn_reflns_theta_full        34.69
_diffrn_reflns_theta_max         34.69
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    26.145
_exptl_absorpt_correction_T_max  0.2547
_exptl_absorpt_correction_T_min  0.1180
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   X-Red
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    6.186
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1483.6
_exptl_crystal_size_max          0.0970
_exptl_crystal_size_mid          0.0888
_exptl_crystal_size_min          0.0836
_refine_diff_density_max         2.601
_refine_diff_density_min         -2.338
_refine_diff_density_rms         0.366
_refine_ls_extinction_coef       0.00047(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     91
_refine_ls_number_reflns         2217
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0540
_refine_ls_R_factor_gt           0.0367
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0165P)²+14.7425P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0556
_refine_ls_wR_factor_ref         0.0590
_reflns_number_gt                1808
_reflns_number_total             2217
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm500157y_si_003.cif
_cod_data_source_block           c2m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Numerical'
changed to 'numerical' according to
/usr/data/users/saulius/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for
 ./tmp-cod-update-bibliographies-15567/cifs/4001923.cif.
;
_cod_original_cell_volume        929.1(3)
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               4001923
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ca1 Ca 0.8134(7) 0.0000 0.0776(5) 0.0109(2) Uani 0.341(5) 2 d SP
Nd1 Nd 0.82729(7) 0.0000 0.06416(6) 0.0109(2) Uani 0.659(5) 2 d SP
Ca2 Ca 0.1212(6) 0.0000 0.1527(5) 0.0114(2) Uani 0.289(5) 2 d SP
Nd2 Nd 0.09385(6) 0.0000 0.13615(5) 0.0114(2) Uani 0.711(5) 2 d SP
Ca3 Ca 0.4188(7) 0.0000 0.2358(6) 0.01173(19) Uani 0.261(5) 2 d SP
Nd3 Nd 0.43762(5) 0.0000 0.25072(5) 0.01173(19) Uani 0.739(5) 2 d SP
Ca4 Ca 0.2713(12) 0.0000 0.6931(10) 0.01095(15) Uani 0.146(5) 2 d SP
Nd4 Nd 0.29404(5) 0.0000 0.68108(3) 0.01095(15) Uani 0.854(5) 2 d SP
Ca5 Ca 0.3624(16) 0.0000 0.493(2) 0.01220(16) Uani 0.080(6) 2 d SP
Nd5 Nd 0.35244(3) 0.0000 0.46445(4) 0.01220(16) Uani 0.920(6) 2 d SP
Sb1 Sb 0.0000 0.5000 0.0000 0.0200(2) Uani 1 4 d S
Sb2 Sb 0.03118(5) 0.0411(11) 0.38847(4) 0.0217(7) Uani 0.491(3) 1 d P
O1 O 0.2366(4) 0.0000 0.0700(3) 0.0148(10) Uani 1 2 d S
O2 O 0.6064(4) 0.0000 0.2061(3) 0.0167(10) Uani 1 2 d S
O3 O 0.0778(4) 0.0000 0.8212(3) 0.0185(11) Uani 1 2 d S
O4 O 0.2955(5) 0.0000 0.3146(5) 0.0278(14) Uani 1 2 d S
O5 O 0.2334(3) 0.0000 0.5563(3) 0.0114(9) Uani 1 2 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ca Ca 0.2262 0.3064 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nd Nd -0.1943 3.0179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 Ca1 O1 123.5(5) 3_545 3
O1 Ca1 O3 109.6(3) 3_545 5_656
O1 Ca1 O3 109.6(3) 3 5_656
O1 Ca1 O1 81.3(3) 3_545 5_655
O1 Ca1 O1 81.3(3) 3 5_655
O3 Ca1 O1 153.7(4) 5_656 5_655
O1 Ca1 Sb1 144.0(3) 3_545 1_655
O1 Ca1 Sb1 80.84(17) 3 1_655
O3 Ca1 Sb1 81.5(3) 5_656 1_655
O1 Ca1 Sb1 76.6(2) 5_655 1_655
O1 Ca1 Sb1 80.84(17) 3_545 1_645
O1 Ca1 Sb1 144.0(3) 3 1_645
O3 Ca1 Sb1 81.5(3) 5_656 1_645
O1 Ca1 Sb1 76.6(2) 5_655 1_645
Sb1 Ca1 Sb1 66.70(15) 1_655 1_645
O1 Ca1 Ca2 35.8(2) 3_545 3_545
O1 Ca1 Ca2 98.5(3) 3 3_545
O3 Ca1 Ca2 99.7(3) 5_656 3_545
O1 Ca1 Ca2 102.3(3) 5_655 3_545
Sb1 Ca1 Ca2 178.8(4) 1_655 3_545
Sb1 Ca1 Ca2 113.70(7) 1_645 3_545
O1 Ca1 Ca2 98.5(3) 3_545 3
O1 Ca1 Ca2 35.8(2) 3 3
O3 Ca1 Ca2 99.7(3) 5_656 3
O1 Ca1 Ca2 102.3(3) 5_655 3
Sb1 Ca1 Ca2 113.70(7) 1_655 3
Sb1 Ca1 Ca2 178.8(4) 1_645 3
Ca2 Ca1 Ca2 65.9(2) 3_545 3
O1 Ca1 Nd1 41.9(2) 3_545 7_645
O1 Ca1 Nd1 101.7(3) 3 7_645
O3 Ca1 Nd1 147.41(8) 5_656 7_645
O1 Ca1 Nd1 39.57(12) 5_655 7_645
Sb1 Ca1 Nd1 113.1(2) 1_655 7_645
Sb1 Ca1 Nd1 78.51(13) 1_645 7_645
Ca2 Ca1 Nd1 66.1(2) 3_545 7_645
Ca2 Ca1 Nd1 100.3(3) 3 7_645
O1 Ca1 Nd1 101.7(3) 3_545 7_655
O1 Ca1 Nd1 41.9(2) 3 7_655
O3 Ca1 Nd1 147.41(8) 5_656 7_655
O1 Ca1 Nd1 39.57(12) 5_655 7_655
Sb1 Ca1 Nd1 78.51(13) 1_655 7_655
Sb1 Ca1 Nd1 113.1(2) 1_645 7_655
Ca2 Ca1 Nd1 100.3(3) 3_545 7_655
Ca2 Ca1 Nd1 66.1(2) 3 7_655
Nd1 Ca1 Nd1 65.03(15) 7_645 7_655
O1 Ca1 Ca3 133.1(4) 3_545 3
O1 Ca1 Ca3 74.8(2) 3 3
O3 Ca1 Ca3 34.78(15) 5_656 3
O1 Ca1 Ca3 145.24(17) 5_655 3
Sb1 Ca1 Ca3 75.0(2) 1_655 3
Sb1 Ca1 Ca3 109.4(3) 1_645 3
Ca2 Ca1 Ca3 105.8(3) 3_545 3
Ca2 Ca1 Ca3 71.8(2) 3 3
Nd1 Ca1 Ca3 170.9(3) 7_645 3
Nd1 Ca1 Ca3 114.20(9) 7_655 3
O1 Ca1 Ca3 74.8(2) 3_545 3_545
O1 Ca1 Ca3 133.1(4) 3 3_545
O3 Ca1 Ca3 34.78(15) 5_656 3_545
O1 Ca1 Ca3 145.24(17) 5_655 3_545
Sb1 Ca1 Ca3 109.4(3) 1_655 3_545
Sb1 Ca1 Ca3 75.0(2) 1_645 3_545
Ca2 Ca1 Ca3 71.8(2) 3_545 3_545
Ca2 Ca1 Ca3 105.8(3) 3 3_545
Nd1 Ca1 Ca3 114.20(9) 7_645 3_545
Nd1 Ca1 Ca3 170.9(3) 7_655 3_545
Ca3 Ca1 Ca3 65.0(2) 3 3_545
O1 Nd1 O1 114.8(2) 3_545 3
O1 Nd1 O3 103.38(16) 3_545 5_656
O1 Nd1 O3 103.38(16) 3 5_656
O1 Nd1 O1 83.34(16) 3_545 5_655
O1 Nd1 O1 83.34(16) 3 5_655
O3 Nd1 O1 167.0(2) 5_656 5_655
O1 Nd1 Sb1 154.79(12) 3_545 1_655
O1 Nd1 Sb1 84.99(11) 3 1_655
O3 Nd1 Sb1 85.84(12) 5_656 1_655
O1 Nd1 Sb1 83.66(10) 5_655 1_655
O1 Nd1 Sb1 84.99(11) 3_545 1_645
O1 Nd1 Sb1 154.79(12) 3 1_645
O3 Nd1 Sb1 85.84(12) 5_656 1_645
O1 Nd1 Sb1 83.66(10) 5_655 1_645
Sb1 Nd1 Sb1 72.17(2) 1_655 1_645
O1 Nd1 Nd1 43.35(14) 3_545 7_645
O1 Nd1 Nd1 101.00(13) 3 7_645
O3 Nd1 Nd1 145.40(5) 5_656 7_645
O1 Nd1 Nd1 40.00(7) 5_655 7_645
Sb1 Nd1 Nd1 120.61(4) 1_655 7_645
Sb1 Nd1 Nd1 82.37(2) 1_645 7_645
O1 Nd1 Nd1 101.00(13) 3_545 7_655
O1 Nd1 Nd1 43.35(14) 3 7_655
O3 Nd1 Nd1 145.40(5) 5_656 7_655
O1 Nd1 Nd1 40.00(7) 5_655 7_655
Sb1 Nd1 Nd1 82.37(2) 1_655 7_655
Sb1 Nd1 Nd1 120.61(4) 1_645 7_655
Nd1 Nd1 Nd1 66.05(4) 7_645 7_655
O1 Nd1 Ca1 46.84(18) 3_545 7_645
O1 Nd1 Ca1 102.79(15) 3 7_645
O3 Nd1 Ca1 147.12(8) 5_656 7_645
O1 Nd1 Ca1 36.76(10) 5_655 7_645
Sb1 Nd1 Ca1 116.02(12) 1_655 7_645
Sb1 Nd1 Ca1 78.79(13) 1_645 7_645
Nd1 Nd1 Ca1 4.90(12) 7_645 7_645
Nd1 Nd1 Ca1 65.77(7) 7_655 7_645
O1 Nd1 Ca1 102.79(15) 3_545 7_655
O1 Nd1 Ca1 46.84(18) 3 7_655
O3 Nd1 Ca1 147.12(8) 5_656 7_655
O1 Nd1 Ca1 36.76(10) 5_655 7_655
Sb1 Nd1 Ca1 78.79(13) 1_655 7_655
Sb1 Nd1 Ca1 116.02(12) 1_645 7_655
Nd1 Nd1 Ca1 65.77(7) 7_645 7_655
Nd1 Nd1 Ca1 4.90(12) 7_655 7_655
Ca1 Nd1 Ca1 65.03(15) 7_645 7_655
O1 Nd1 Ca3 123.69(19) 3_545 3
O1 Nd1 Ca3 71.28(17) 3 3
O3 Nd1 Ca3 32.92(10) 5_656 3
O1 Nd1 Ca3 148.61(8) 5_655 3
Sb1 Nd1 Ca3 76.16(15) 1_655 3
Sb1 Nd1 Ca3 111.90(15) 1_645 3
Nd1 Nd1 Ca3 161.60(16) 7_645 3
Nd1 Nd1 Ca3 112.47(9) 7_655 3
Ca1 Nd1 Ca3 166.5(2) 7_645 3
Ca1 Nd1 Ca3 114.42(12) 7_655 3
O1 Nd1 Ca3 71.28(17) 3_545 3_545
O1 Nd1 Ca3 123.69(19) 3 3_545
O3 Nd1 Ca3 32.92(10) 5_656 3_545
O1 Nd1 Ca3 148.61(8) 5_655 3_545
Sb1 Nd1 Ca3 111.90(15) 1_655 3_545
Sb1 Nd1 Ca3 76.16(15) 1_645 3_545
Nd1 Nd1 Ca3 112.47(9) 7_645 3_545
Nd1 Nd1 Ca3 161.60(16) 7_655 3_545
Ca1 Nd1 Ca3 114.42(12) 7_645 3_545
Ca1 Nd1 Ca3 166.5(2) 7_655 3_545
Ca3 Nd1 Ca3 62.64(16) 3 3_545
O2 Ca2 O2 126.9(5) 3_455 3_445
O2 Ca2 O1 111.9(2) 3_455 .
O2 Ca2 O1 111.9(2) 3_445 .
O2 Ca2 O3 79.2(3) 3_455 5_556
O2 Ca2 O3 79.2(3) 3_445 5_556
O1 Ca2 O3 148.3(5) . 5_556
O2 Ca2 Ca1 76.2(2) 3_455 3_455
O2 Ca2 Ca1 137.3(4) 3_445 3_455
O1 Ca2 Ca1 35.89(14) . 3_455
O3 Ca2 Ca1 143.5(2) 5_556 3_455
O2 Ca2 Ca1 137.3(4) 3_455 3_445
O2 Ca2 Ca1 76.2(2) 3_445 3_445
O1 Ca2 Ca1 35.89(14) . 3_445
O3 Ca2 Ca1 143.5(2) 5_556 3_445
Ca1 Ca2 Ca1 65.9(2) 3_455 3_445
O2 Ca2 Ca4 39.7(3) 3_455 7_556
O2 Ca2 Ca4 101.7(4) 3_445 7_556
O1 Ca2 Ca4 103.0(4) . 7_556
O3 Ca2 Ca4 103.5(4) 5_556 7_556
Ca1 Ca2 Ca4 73.2(3) 3_455 7_556
Ca1 Ca2 Ca4 107.5(4) 3_445 7_556
O2 Ca2 Ca4 101.7(4) 3_455 7_546
O2 Ca2 Ca4 39.7(3) 3_445 7_546
O1 Ca2 Ca4 103.0(4) . 7_546
O3 Ca2 Ca4 103.5(4) 5_556 7_546
Ca1 Ca2 Ca4 107.5(4) 3_455 7_546
Ca1 Ca2 Ca4 73.2(3) 3_445 7_546
Ca4 Ca2 Ca4 65.8(3) 7_556 7_546
O2 Ca2 Sb1 138.5(4) 3_455 1_545
O2 Ca2 Sb1 77.9(2) 3_445 1_545
O1 Ca2 Sb1 79.7(2) . 1_545
O3 Ca2 Sb1 73.6(2) 5_556 1_545
Ca1 Ca2 Sb1 109.1(3) 3_455 1_545
Ca1 Ca2 Sb1 75.20(19) 3_445 1_545
Ca4 Ca2 Sb1 177.1(3) 7_556 1_545
Ca4 Ca2 Sb1 114.63(14) 7_546 1_545
O2 Ca2 Sb1 77.9(2) 3_455 .
O2 Ca2 Sb1 138.5(4) 3_445 .
O1 Ca2 Sb1 79.7(2) . .
O3 Ca2 Sb1 73.6(2) 5_556 .
Ca1 Ca2 Sb1 75.20(19) 3_455 .
Ca1 Ca2 Sb1 109.1(3) 3_445 .
Ca4 Ca2 Sb1 114.63(14) 7_556 .
Ca4 Ca2 Sb1 177.1(3) 7_546 .
Sb1 Ca2 Sb1 64.76(17) 1_545 .
O2 Ca2 Nd4 37.7(2) 3_455 7_556
O2 Ca2 Nd4 99.4(3) 3_445 7_556
O1 Ca2 Nd4 109.1(3) . 7_556
O3 Ca2 Nd4 97.6(2) 5_556 7_556
Ca1 Ca2 Nd4 78.66(19) 3_455 7_556
Ca1 Ca2 Nd4 112.6(3) 3_445 7_556
Ca4 Ca2 Nd4 6.0(3) 7_556 7_556
Ca4 Ca2 Nd4 65.5(2) 7_546 7_556
Sb1 Ca2 Nd4 171.1(2) 1_545 7_556
Sb1 Ca2 Nd4 114.59(3) . 7_556
O2 Ca2 Nd4 99.4(3) 3_455 7_546
O2 Ca2 Nd4 37.7(2) 3_445 7_546
O1 Ca2 Nd4 109.1(3) . 7_546
O3 Ca2 Nd4 97.6(2) 5_556 7_546
Ca1 Ca2 Nd4 112.6(3) 3_455 7_546
Ca1 Ca2 Nd4 78.66(19) 3_445 7_546
Ca4 Ca2 Nd4 65.5(2) 7_556 7_546
Ca4 Ca2 Nd4 6.0(3) 7_546 7_546
Sb1 Ca2 Nd4 114.59(3) 1_545 7_546
Sb1 Ca2 Nd4 171.1(2) . 7_546
Nd4 Ca2 Nd4 64.56(16) 7_556 7_546
O2 Nd2 O2 115.3(2) 3_455 3_445
O2 Nd2 O1 103.34(16) 3_455 .
O2 Nd2 O1 103.34(15) 3_445 .
O2 Nd2 O3 83.09(16) 3_455 5_556
O2 Nd2 O3 83.09(16) 3_445 5_556
O1 Nd2 O3 167.44(19) . 5_556
O2 Nd2 Sb1 154.58(12) 3_455 1_545
O2 Nd2 Sb1 84.41(12) 3_445 1_545
O1 Nd2 Sb1 86.24(11) . 1_545
O3 Nd2 Sb1 83.65(11) 5_556 1_545
O2 Nd2 Sb1 84.41(12) 3_455 .
O2 Nd2 Sb1 154.58(12) 3_445 .
O1 Nd2 Sb1 86.24(11) . .
O3 Nd2 Sb1 83.65(11) 5_556 .
Sb1 Nd2 Sb1 72.63(3) 1_545 .
O2 Nd2 Nd3 43.06(14) 3_455 3_455
O2 Nd2 Nd3 100.64(13) 3_445 3_455
O1 Nd2 Nd3 145.36(5) . 3_455
O3 Nd2 Nd3 40.05(7) 5_556 3_455
Sb1 Nd2 Nd3 120.88(3) 1_545 3_455
Sb1 Nd2 Nd3 82.62(2) . 3_455
O2 Nd2 Nd3 100.64(13) 3_455 3_445
O2 Nd2 Nd3 43.06(14) 3_445 3_445
O1 Nd2 Nd3 145.36(5) . 3_445
O3 Nd2 Nd3 40.05(7) 5_556 3_445
Sb1 Nd2 Nd3 82.62(2) 1_545 3_445
Sb1 Nd2 Nd3 120.88(3) . 3_445
Nd3 Nd2 Nd3 65.60(2) 3_455 3_445
O2 Nd2 Ca3 103.02(18) 3_455 3_445
O2 Nd2 Ca3 46.77(18) 3_445 3_445
O1 Nd2 Ca3 147.05(9) . 3_445
O3 Nd2 Ca3 36.61(12) 5_556 3_445
Sb1 Nd2 Ca3 78.25(14) 1_545 3_445
Sb1 Nd2 Ca3 115.75(14) . 3_445
Nd3 Nd2 Ca3 65.70(9) 3_455 3_445
Nd3 Nd2 Ca3 5.66(15) 3_445 3_445
O2 Nd2 Ca3 46.77(18) 3_455 3_455
O2 Nd2 Ca3 103.02(18) 3_445 3_455
O1 Nd2 Ca3 147.05(9) . 3_455
O3 Nd2 Ca3 36.61(12) 5_556 3_455
Sb1 Nd2 Ca3 115.75(14) 1_545 3_455
Sb1 Nd2 Ca3 78.25(14) . 3_455
Nd3 Nd2 Ca3 5.66(15) 3_455 3_455
Nd3 Nd2 Ca3 65.70(9) 3_445 3_455
Ca3 Nd2 Ca3 65.19(18) 3_445 3_455
O2 Nd2 Nd1 119.13(13) 3_455 5_655
O2 Nd2 Nd1 119.13(13) 3_445 5_655
O1 Nd2 Nd1 39.91(14) . 5_655
O3 Nd2 Nd1 127.53(14) 5_556 5_655
Sb1 Nd2 Nd1 55.553(19) 1_545 5_655
Sb1 Nd2 Nd1 55.553(19) . 5_655
Nd3 Nd2 Nd1 137.87(3) 3_455 5_655
Nd3 Nd2 Nd1 137.87(3) 3_445 5_655
Ca3 Nd2 Nd1 133.77(14) 3_445 5_655
Ca3 Nd2 Nd1 133.77(14) 3_455 5_655
O2 Nd2 Ca1 71.06(16) 3_455 3_455
O2 Nd2 Ca1 123.30(18) 3_445 3_455
O1 Nd2 Ca1 32.95(9) . 3_455
O3 Nd2 Ca1 148.84(7) 5_556 3_455
Sb1 Nd2 Ca1 112.74(12) 1_545 3_455
Sb1 Nd2 Ca1 76.94(13) . 3_455
Nd3 Nd2 Ca1 112.41(7) 3_455 3_455
Nd3 Nd2 Ca1 160.30(15) 3_445 3_455
Ca3 Nd2 Ca1 166.0(2) 3_445 3_455
Ca3 Nd2 Ca1 114.39(12) 3_455 3_455
Nd1 Nd2 Ca1 57.62(12) 5_655 3_455
O3 Ca3 O3 125.3(6) 7_546 7_556
O3 Ca3 O4 108.7(3) 7_546 .
O3 Ca3 O4 108.7(3) 7_556 .
O3 Ca3 O2 82.1(3) 7_546 .
O3 Ca3 O2 82.1(3) 7_556 .
O4 Ca3 O2 153.2(5) . .
O3 Ca3 Sb2 141.7(4) 7_546 8
O3 Ca3 Sb2 83.0(2) 7_556 8
O4 Ca3 Sb2 80.4(3) . 8
O2 Ca3 Sb2 76.6(2) . 8
O3 Ca3 Sb2 83.0(2) 7_546 3_545
O3 Ca3 Sb2 141.7(4) 7_556 3_545
O4 Ca3 Sb2 80.4(3) . 3_545
O2 Ca3 Sb2 76.6(2) . 3_545
Sb2 Ca3 Sb2 61.3(2) 8 3_545
O3 Ca3 Ca4 73.1(3) 7_546 7_546
O3 Ca3 Ca4 133.5(4) 7_556 7_546
O4 Ca3 Ca4 35.6(2) . 7_546
O2 Ca3 Ca4 144.1(2) . 7_546
Sb2 Ca3 Ca4 107.7(4) 8 7_546
Sb2 Ca3 Ca4 75.0(3) 3_545 7_546
O3 Ca3 Ca4 133.5(4) 7_546 7_556
O3 Ca3 Ca4 73.1(3) 7_556 7_556
O4 Ca3 Ca4 35.6(2) . 7_556
O2 Ca3 Ca4 144.1(2) . 7_556
Sb2 Ca3 Ca4 75.0(3) 8 7_556
Sb2 Ca3 Ca4 107.7(4) 3_545 7_556
Ca4 Ca3 Ca4 66.9(4) 7_546 7_556
O3 Ca3 Nd2 102.9(4) 7_546 3
O3 Ca3 Nd2 42.8(2) 7_556 3
O4 Ca3 Nd2 147.28(10) . 3
O2 Ca3 Nd2 39.52(14) . 3
Sb2 Ca3 Nd2 80.08(15) 8 3
Sb2 Ca3 Nd2 112.2(3) 3_545 3
Ca4 Ca3 Nd2 171.6(4) 7_546 3
Ca4 Ca3 Nd2 113.28(17) 7_556 3
O3 Ca3 Nd2 42.8(2) 7_546 3_545
O3 Ca3 Nd2 102.9(4) 7_556 3_545
O4 Ca3 Nd2 147.28(10) . 3_545
O2 Ca3 Nd2 39.52(14) . 3_545
Sb2 Ca3 Nd2 112.2(3) 8 3_545
Sb2 Ca3 Nd2 80.08(15) 3_545 3_545
Ca4 Ca3 Nd2 113.28(17) 7_546 3_545
Ca4 Ca3 Nd2 171.6(4) 7_556 3_545
Nd2 Ca3 Nd2 65.19(18) 3 3_545
O3 Ca3 Ca1 35.8(2) 7_546 3_445
O3 Ca3 Ca1 98.2(4) 7_556 3_445
O4 Ca3 Ca1 101.5(3) . 3_445
O2 Ca3 Ca1 101.0(3) . 3_445
Sb2 Ca3 Ca1 177.2(3) 8 3_445
Sb2 Ca3 Ca1 116.81(10) 3_545 3_445
Ca4 Ca3 Ca1 73.2(3) 7_546 3_445
Ca4 Ca3 Ca1 107.7(4) 7_556 3_445
Nd2 Ca3 Ca1 99.1(3) 3 3_445
Nd2 Ca3 Ca1 65.1(2) 3_545 3_445
O3 Ca3 Ca1 98.2(4) 7_546 3_455
O3 Ca3 Ca1 35.8(2) 7_556 3_455
O4 Ca3 Ca1 101.5(3) . 3_455
O2 Ca3 Ca1 101.0(3) . 3_455
Sb2 Ca3 Ca1 116.81(10) 8 3_455
Sb2 Ca3 Ca1 177.2(3) 3_545 3_455
Ca4 Ca3 Ca1 107.7(4) 7_546 3_455
Ca4 Ca3 Ca1 73.2(3) 7_556 3_455
Nd2 Ca3 Ca1 65.1(2) 3 3_455
Nd2 Ca3 Ca1 99.1(3) 3_545 3_455
Ca1 Ca3 Ca1 65.0(2) 3_445 3_455
O4 Nd3 O3 102.47(18) . 7_546
O4 Nd3 O3 102.47(18) . 7_556
O3 Nd3 O3 113.7(2) 7_546 7_556
O4 Nd3 O2 169.2(2) . .
O3 Nd3 O2 83.22(16) 7_546 .
O3 Nd3 O2 83.22(16) 7_556 .
O4 Nd3 Sb2 86.41(17) . 8
O3 Nd3 Sb2 153.58(14) 7_546 8
O3 Nd3 Sb2 87.99(14) 7_556 8
O2 Nd3 Sb2 84.64(11) . 8
O4 Nd3 Sb2 86.41(17) . 3_545
O3 Nd3 Sb2 87.99(14) 7_546 3_545
O3 Nd3 Sb2 153.58(14) 7_556 3_545
O2 Nd3 Sb2 84.64(11) . 3_545
Sb2 Nd3 Sb2 67.54(13) 8 3_545
O4 Nd3 Sb2 86.61(16) . 3
O3 Nd3 Sb2 157.62(14) 7_546 3
O3 Nd3 Sb2 83.58(13) 7_556 3
O2 Nd3 Sb2 84.94(10) . 3
Sb2 Nd3 Sb2 4.49(12) 8 3
Sb2 Nd3 Sb2 72.03(3) 3_545 3
O4 Nd3 Sb2 86.61(16) . 8_545
O3 Nd3 Sb2 83.58(13) 7_546 8_545
O3 Nd3 Sb2 157.62(14) 7_556 8_545
O2 Nd3 Sb2 84.94(10) . 8_545
Sb2 Nd3 Sb2 72.03(3) 8 8_545
Sb2 Nd3 Sb2 4.49(12) 3_545 8_545
Sb2 Nd3 Sb2 76.51(11) 3 8_545
O4 Nd3 Nd2 145.13(7) . 3
O3 Nd3 Nd2 100.63(14) 7_546 3
O3 Nd3 Nd2 43.74(15) 7_556 3
O2 Nd3 Nd2 39.48(7) . 3
Sb2 Nd3 Nd2 84.36(5) 8 3
Sb2 Nd3 Nd2 120.26(4) 3_545 3
Sb2 Nd3 Nd2 81.73(4) 3 3
Sb2 Nd3 Nd2 121.81(4) 8_545 3
O4 Nd3 Nd2 145.13(7) . 3_545
O3 Nd3 Nd2 43.74(15) 7_546 3_545
O3 Nd3 Nd2 100.63(14) 7_556 3_545
O2 Nd3 Nd2 39.48(7) . 3_545
Sb2 Nd3 Nd2 120.26(4) 8 3_545
Sb2 Nd3 Nd2 84.36(5) 3_545 3_545
Sb2 Nd3 Nd2 121.81(4) 3 3_545
Sb2 Nd3 Nd2 81.73(4) 8_545 3_545
Nd2 Nd3 Nd2 65.60(2) 3 3_545
O4 Nd3 Ca4 33.87(18) . 7_546
O3 Nd3 Ca4 69.7(3) 7_546 7_546
O3 Nd3 Ca4 123.4(2) 7_556 7_546
O2 Nd3 Ca4 147.62(15) . 7_546
Sb2 Nd3 Ca4 111.9(3) 8 7_546
Sb2 Nd3 Ca4 77.2(2) 3_545 7_546
Sb2 Nd3 Ca4 113.8(3) 3 7_546
Sb2 Nd3 Ca4 74.9(2) 8_545 7_546
Nd2 Nd3 Ca4 160.6(3) 3 7_546
Nd2 Nd3 Ca4 111.28(18) 3_545 7_546
O4 Nd3 Ca4 33.87(18) . 7_556
O3 Nd3 Ca4 123.4(2) 7_546 7_556
O3 Nd3 Ca4 69.7(3) 7_556 7_556
O2 Nd3 Ca4 147.62(15) . 7_556
Sb2 Nd3 Ca4 77.2(2) 8 7_556
Sb2 Nd3 Ca4 111.9(3) 3_545 7_556
Sb2 Nd3 Ca4 74.9(2) 3 7_556
Sb2 Nd3 Ca4 113.8(3) 8_545 7_556
Nd2 Nd3 Ca4 111.28(18) 3 7_556
Nd2 Nd3 Ca4 160.6(3) 3_545 7_556
Ca4 Nd3 Ca4 64.8(3) 7_546 7_556
O4 Ca4 O4 129.8(8) 7_546 7_556
O4 Ca4 O2 108.9(5) 7_546 5_656
O4 Ca4 O2 108.9(5) 7_556 5_656
O4 Ca4 O5 82.8(5) 7_546 .
O4 Ca4 O5 82.8(5) 7_556 .
O2 Ca4 O5 147.4(8) 5_656 .
O4 Ca4 Ca3 37.5(4) 7_546 7_546
O4 Ca4 Ca3 101.8(6) 7_556 7_546
O2 Ca4 Ca3 103.4(5) 5_656 7_546
O5 Ca4 Ca3 103.6(5) . 7_546
O4 Ca4 Ca3 101.8(6) 7_546 7_556
O4 Ca4 Ca3 37.5(4) 7_556 7_556
O2 Ca4 Ca3 103.4(5) 5_656 7_556
O5 Ca4 Ca3 103.6(5) . 7_556
Ca3 Ca4 Ca3 66.9(4) 7_546 7_556
O4 Ca4 Ca2 133.8(7) 7_546 7_556
O4 Ca4 Ca2 73.0(4) 7_556 7_556
O2 Ca4 Ca2 36.1(2) 5_656 7_556
O5 Ca4 Ca2 143.5(3) . 7_556
Ca3 Ca4 Ca2 107.8(5) 7_546 7_556
Ca3 Ca4 Ca2 72.9(3) 7_556 7_556
O4 Ca4 Ca2 73.0(4) 7_546 7_546
O4 Ca4 Ca2 133.8(7) 7_556 7_546
O2 Ca4 Ca2 36.1(2) 5_656 7_546
O5 Ca4 Ca2 143.5(3) . 7_546
Ca3 Ca4 Ca2 72.9(3) 7_546 7_546
Ca3 Ca4 Ca2 107.8(5) 7_556 7_546
Ca2 Ca4 Ca2 65.8(3) 7_556 7_546
O4 Ca4 Sb2 138.4(7) 7_546 7_556
O4 Ca4 Sb2 81.3(4) 7_556 7_556
O2 Ca4 Sb2 77.9(4) 5_656 7_556
O5 Ca4 Sb2 74.0(4) . 7_556
Ca3 Ca4 Sb2 175.9(4) 7_546 7_556
Ca3 Ca4 Sb2 116.75(12) 7_556 7_556
Ca2 Ca4 Sb2 75.6(2) 7_556 7_556
Ca2 Ca4 Sb2 106.9(4) 7_546 7_556
O4 Ca4 Sb2 81.3(4) 7_546 4_546
O4 Ca4 Sb2 138.4(7) 7_556 4_546
O2 Ca4 Sb2 77.9(4) 5_656 4_546
O5 Ca4 Sb2 74.0(4) . 4_546
Ca3 Ca4 Sb2 116.75(12) 7_546 4_546
Ca3 Ca4 Sb2 175.9(4) 7_556 4_546
Ca2 Ca4 Sb2 106.9(4) 7_556 4_546
Ca2 Ca4 Sb2 75.6(2) 7_546 4_546
Sb2 Ca4 Sb2 59.5(3) 7_556 4_546
O4 Ca4 Nd3 36.6(3) 7_546 7_546
O4 Ca4 Nd3 99.6(6) 7_556 7_546
O2 Ca4 Nd3 108.9(5) 5_656 7_546
O5 Ca4 Nd3 98.5(4) . 7_546
Ca3 Ca4 Nd3 5.45(16) 7_546 7_546
Ca3 Ca4 Nd3 66.1(3) 7_556 7_546
Ca2 Ca4 Nd3 112.1(5) 7_556 7_546
Ca2 Ca4 Nd3 78.1(3) 7_546 7_546
Sb2 Ca4 Nd3 172.2(5) 7_556 7_546
Sb2 Ca4 Nd3 117.34(9) 4_546 7_546
O4 Ca4 Nd3 99.6(6) 7_546 7_556
O4 Ca4 Nd3 36.6(3) 7_556 7_556
O2 Ca4 Nd3 108.9(5) 5_656 7_556
O5 Ca4 Nd3 98.5(4) . 7_556
Ca3 Ca4 Nd3 66.1(3) 7_546 7_556
Ca3 Ca4 Nd3 5.45(16) 7_556 7_556
Ca2 Ca4 Nd3 78.1(3) 7_556 7_556
Ca2 Ca4 Nd3 112.1(5) 7_546 7_556
Sb2 Ca4 Nd3 117.34(8) 7_556 7_556
Sb2 Ca4 Nd3 172.2(5) 4_546 7_556
Nd3 Ca4 Nd3 64.8(3) 7_546 7_556
O5 Nd4 O4 82.6(2) . 7_546
O5 Nd4 O4 82.6(2) . 7_556
O4 Nd4 O4 115.6(3) 7_546 7_556
O5 Nd4 O2 165.61(19) . 5_656
O4 Nd4 O2 104.7(2) 7_546 5_656
O4 Nd4 O2 104.7(2) 7_556 5_656
O5 Nd4 Sb2 82.51(10) . 7_556
O4 Nd4 Sb2 150.82(17) 7_546 7_556
O4 Nd4 Sb2 87.11(15) 7_556 7_556
O2 Nd4 Sb2 85.44(12) 5_656 7_556
O5 Nd4 Sb2 82.51(10) . 4_546
O4 Nd4 Sb2 87.11(15) 7_546 4_546
O4 Nd4 Sb2 150.82(17) 7_556 4_546
O2 Nd4 Sb2 85.44(12) 5_656 4_546
Sb2 Nd4 Sb2 66.16(13) 7_556 4_546
O5 Nd4 Sb2 82.91(10) . 4_556
O4 Nd4 Sb2 154.78(17) 7_546 4_556
O4 Nd4 Sb2 82.76(14) 7_556 4_556
O2 Nd4 Sb2 85.69(11) 5_656 4_556
Sb2 Nd4 Sb2 4.45(12) 7_556 4_556
Sb2 Nd4 Sb2 70.61(3) 4_546 4_556
O5 Nd4 Sb2 82.91(10) . 7_546
O4 Nd4 Sb2 82.76(14) 7_546 7_546
O4 Nd4 Sb2 154.78(17) 7_556 7_546
O2 Nd4 Sb2 85.69(11) 5_656 7_546
Sb2 Nd4 Sb2 70.61(3) 7_556 7_546
Sb2 Nd4 Sb2 4.45(12) 4_546 7_546
Sb2 Nd4 Sb2 75.06(11) 4_556 7_546
O5 Nd4 Ca5 36.4(4) . .
O4 Nd4 Ca5 101.7(3) 7_546 .
O4 Nd4 Ca5 101.7(3) 7_556 .
O2 Nd4 Ca5 129.2(4) 5_656 .
Sb2 Nd4 Ca5 53.4(3) 7_556 .
Sb2 Nd4 Ca5 53.4(3) 4_546 .
Sb2 Nd4 Ca5 55.6(3) 4_556 .
Sb2 Nd4 Ca5 55.6(3) 7_546 .
O5 Nd4 Ca2 147.71(8) . 7_556
O4 Nd4 Ca2 124.6(2) 7_546 7_556
O4 Nd4 Ca2 70.4(2) 7_556 7_556
O2 Nd4 Ca2 34.68(11) 5_656 7_556
Sb2 Nd4 Ca2 78.87(11) 7_556 7_556
Sb2 Nd4 Ca2 112.94(13) 4_546 7_556
Sb2 Nd4 Ca2 76.57(10) 4_556 7_556
Sb2 Nd4 Ca2 114.73(13) 7_546 7_556
Ca5 Nd4 Ca2 132.2(3) . 7_556
O5 Nd4 Ca2 147.71(8) . 7_546
O4 Nd4 Ca2 70.4(2) 7_546 7_546
O4 Nd4 Ca2 124.6(2) 7_556 7_546
O2 Nd4 Ca2 34.68(11) 5_656 7_546
Sb2 Nd4 Ca2 112.94(13) 7_556 7_546
Sb2 Nd4 Ca2 78.87(11) 4_546 7_546
Sb2 Nd4 Ca2 114.73(13) 4_556 7_546
Sb2 Nd4 Ca2 76.57(10) 7_546 7_546
Ca5 Nd4 Ca2 132.2(3) . 7_546
Ca2 Nd4 Ca2 64.56(16) 7_556 7_546
O5 Nd4 Nd5 36.07(6) . 7_546
O4 Nd4 Nd5 46.7(2) 7_546 7_546
O4 Nd4 Nd5 101.71(18) 7_556 7_546
O2 Nd4 Nd5 148.10(2) 5_656 7_546
Sb2 Nd4 Nd5 113.66(4) 7_556 7_546
Sb2 Nd4 Nd5 80.08(4) 4_546 7_546
Sb2 Nd4 Nd5 115.37(3) 4_556 7_546
Sb2 Nd4 Nd5 77.78(4) 7_546 7_546
Ca5 Nd4 Nd5 60.5(3) . 7_546
Ca2 Nd4 Nd5 165.40(12) 7_556 7_546
Ca2 Nd4 Nd5 113.98(9) 7_546 7_546
Nd5 Ca5 O5 110(3) . .
Nd5 Ca5 O5 63.4(12) . 7_546
O5 Ca5 O5 75.6(5) . 7_546
Nd5 Ca5 O5 63.4(12) . 7_556
O5 Ca5 O5 75.6(5) . 7_556
O5 Ca5 O5 103.8(11) 7_546 7_556
Nd5 Ca5 Sb2 139.2(12) . 7_556
O5 Ca5 Sb2 91.0(10) . 7_556
O5 Ca5 Sb2 157.4(12) 7_546 7_556
O5 Ca5 Sb2 90.0(3) 7_556 7_556
Nd5 Ca5 Sb2 139.2(12) . 4_546
O5 Ca5 Sb2 91.0(10) . 4_546
O5 Ca5 Sb2 90.0(3) 7_546 4_546
O5 Ca5 Sb2 157.4(12) 7_556 4_546
Sb2 Ca5 Sb2 71.9(7) 7_556 4_546
Nd5 Ca5 Sb2 135.2(11) . 4_556
O5 Ca5 Sb2 90.9(9) . 4_556
O5 Ca5 Sb2 160.8(12) 7_546 4_556
O5 Ca5 Sb2 85.5(3) 7_556 4_556
Sb2 Ca5 Sb2 4.59(12) 7_556 4_556
Sb2 Ca5 Sb2 76.5(7) 4_546 4_556
Nd5 Ca5 Sb2 135.2(11) . 7_546
O5 Ca5 Sb2 90.9(9) . 7_546
O5 Ca5 Sb2 85.5(3) 7_546 7_546
O5 Ca5 Sb2 160.8(12) 7_556 7_546
Sb2 Ca5 Sb2 76.5(7) 7_556 7_546
Sb2 Ca5 Sb2 4.59(12) 4_546 7_546
Sb2 Ca5 Sb2 81.1(8) 4_556 7_546
Nd5 Ca5 Nd4 149(3) . .
O5 Ca5 Nd4 39.8(6) . .
O5 Ca5 Nd4 99.8(7) 7_546 .
O5 Ca5 Nd4 99.8(7) 7_556 .
Sb2 Ca5 Nd4 59.7(6) 7_556 .
Sb2 Ca5 Nd4 59.7(6) 4_546 .
Sb2 Ca5 Nd4 61.7(6) 4_556 .
Sb2 Ca5 Nd4 61.7(6) 7_546 .
Nd5 Ca5 Sb2 68.0(19) . 8
O5 Ca5 Sb2 149.0(3) . 8
O5 Ca5 Sb2 124.1(11) 7_546 8
O5 Ca5 Sb2 76.3(5) 7_556 8
Sb2 Ca5 Sb2 76.2(3) 7_556 8
Sb2 Ca5 Sb2 110.9(6) 4_546 8
Sb2 Ca5 Sb2 74.1(3) 4_556 8
Sb2 Ca5 Sb2 112.7(6) 7_546 8
Nd4 Ca5 Sb2 135.8(7) . 8
Nd5 Ca5 Sb2 68.0(19) . 3_545
O5 Ca5 Sb2 149.0(3) . 3_545
O5 Ca5 Sb2 76.3(5) 7_546 3_545
O5 Ca5 Sb2 124.1(11) 7_556 3_545
Sb2 Ca5 Sb2 110.9(6) 7_556 3_545
Sb2 Ca5 Sb2 76.2(3) 4_546 3_545
Sb2 Ca5 Sb2 112.7(6) 4_556 3_545
Sb2 Ca5 Sb2 74.1(3) 7_546 3_545
Nd4 Ca5 Sb2 135.8(7) . 3_545
Sb2 Ca5 Sb2 61.0(4) 8 3_545
Nd5 Ca5 Nd5 92(2) . 7_546
O5 Ca5 Nd5 36.3(2) . 7_546
O5 Ca5 Nd5 40.2(3) 7_546 7_546
O5 Ca5 Nd5 94.6(6) 7_556 7_546
Sb2 Ca5 Nd5 122.1(9) 7_556 7_546
Sb2 Ca5 Nd5 84.4(5) 4_546 7_546
Sb2 Ca5 Nd5 123.5(9) 4_556 7_546
Sb2 Ca5 Nd5 81.6(4) 7_546 7_546
Nd4 Ca5 Nd5 62.7(4) . 7_546
Sb2 Ca5 Nd5 160.0(11) 8 7_546
Sb2 Ca5 Nd5 113.3(3) 3_545 7_546
Ca5 Nd5 O5 104.9(11) . 7_546
Ca5 Nd5 O5 104.9(11) . 7_556
O5 Nd5 O5 116.5(2) 7_546 7_556
Ca5 Nd5 O5 58(2) . .
O5 Nd5 O5 75.18(15) 7_546 .
O5 Nd5 O5 75.18(15) 7_556 .
Ca5 Nd5 O4 178(2) . .
O5 Nd5 O4 74.36(14) 7_546 .
O5 Nd5 O4 74.36(14) 7_556 .
O5 Nd5 O4 120.07(18) . .
Ca5 Nd5 Sb2 103.8(19) . 8
O5 Nd5 Sb2 139.77(14) 7_546 8
O5 Nd5 Sb2 81.94(13) 7_556 8
O5 Nd5 Sb2 144.82(7) . 8
O4 Nd5 Sb2 77.49(11) . 8
Ca5 Nd5 Sb2 103.8(19) . 3_545
O5 Nd5 Sb2 81.94(13) 7_546 3_545
O5 Nd5 Sb2 139.77(14) 7_556 3_545
O5 Nd5 Sb2 144.82(7) . 3_545
O4 Nd5 Sb2 77.49(11) . 3_545
Sb2 Nd5 Sb2 64.19(13) 8 3_545
Ca5 Nd5 Sb2 35.2(10) . 7_556
O5 Nd5 Sb2 140.09(14) 7_546 7_556
O5 Nd5 Sb2 83.51(13) 7_556 7_556
O5 Nd5 Sb2 77.79(10) . 7_556
O4 Nd5 Sb2 145.44(8) . 7_556
Sb2 Nd5 Sb2 73.33(6) 8 7_556
Sb2 Nd5 Sb2 105.25(6) 3_545 7_556
Ca5 Nd5 Sb2 35.2(10) . 4_546
O5 Nd5 Sb2 83.51(13) 7_546 4_546
O5 Nd5 Sb2 140.09(14) 7_556 4_546
O5 Nd5 Sb2 77.79(10) . 4_546
O4 Nd5 Sb2 145.44(8) . 4_546
Sb2 Nd5 Sb2 105.25(6) 8 4_546
Sb2 Nd5 Sb2 73.33(6) 3_545 4_546
Sb2 Nd5 Sb2 62.32(12) 7_556 4_546
Ca5 Nd5 Sb2 103.1(18) . 3
O5 Nd5 Sb2 143.26(14) 7_546 3
O5 Nd5 Sb2 77.88(12) 7_556 3
O5 Nd5 Sb2 140.87(7) . 3
O4 Nd5 Sb2 78.14(11) . 3
Sb2 Nd5 Sb2 4.39(12) 8 3
Sb2 Nd5 Sb2 68.58(2) 3_545 3
Sb2 Nd5 Sb2 71.40(3) 7_556 3
Sb2 Nd5 Sb2 107.24(3) 4_546 3
Ca5 Nd5 Sb2 103.1(18) . 8_545
O5 Nd5 Sb2 77.88(12) 7_546 8_545
O5 Nd5 Sb2 143.26(14) 7_556 8_545
O5 Nd5 Sb2 140.87(7) . 8_545
O4 Nd5 Sb2 78.14(10) . 8_545
Sb2 Nd5 Sb2 68.58(2) 8 8_545
Sb2 Nd5 Sb2 4.39(12) 3_545 8_545
Sb2 Nd5 Sb2 107.24(2) 7_556 8_545
Sb2 Nd5 Sb2 71.40(3) 4_546 8_545
Sb2 Nd5 Sb2 72.97(11) 3 8_545
Ca5 Nd5 Sb2 39.0(9) . 4_556
O5 Nd5 Sb2 143.60(14) 7_546 4_556
O5 Nd5 Sb2 79.48(13) 7_556 4_556
O5 Nd5 Sb2 78.39(10) . 4_556
O4 Nd5 Sb2 141.59(7) . 4_556
Sb2 Nd5 Sb2 71.35(3) 8 4_556
Sb2 Nd5 Sb2 107.28(2) 3_545 4_556
Sb2 Nd5 Sb2 4.33(12) 7_556 4_556
Sb2 Nd5 Sb2 66.65(3) 4_546 4_556
Sb2 Nd5 Sb2 69.15(6) 3 4_556
Sb2 Nd5 Sb2 109.54(6) 8_545 4_556
Nd2 Sb1 Nd2 180.00(3) 5 1_565
Nd2 Sb1 Nd2 72.63(3) 5 5_565
Nd2 Sb1 Nd2 107.37(3) 1_565 5_565
Nd2 Sb1 Nd2 107.37(3) 5 .
Nd2 Sb1 Nd2 72.63(3) 1_565 .
Nd2 Sb1 Nd2 180.00(2) 5_565 .
Nd2 Sb1 Nd1 110.65(2) 5 5_665
Nd2 Sb1 Nd1 69.35(2) 1_565 5_665
Nd2 Sb1 Nd1 69.83(3) 5_565 5_665
Nd2 Sb1 Nd1 110.17(3) . 5_665
Nd2 Sb1 Nd1 69.35(2) 5 1_455
Nd2 Sb1 Nd1 110.65(2) 1_565 1_455
Nd2 Sb1 Nd1 110.17(3) 5_565 1_455
Nd2 Sb1 Nd1 69.83(3) . 1_455
Nd1 Sb1 Nd1 180.00(3) 5_665 1_455
Nd2 Sb1 Nd1 69.83(3) 5 5_655
Nd2 Sb1 Nd1 110.17(3) 1_565 5_655
Nd2 Sb1 Nd1 110.65(2) 5_565 5_655
Nd2 Sb1 Nd1 69.35(2) . 5_655
Nd1 Sb1 Nd1 72.17(2) 5_665 5_655
Nd1 Sb1 Nd1 107.83(2) 1_455 5_655
Nd2 Sb1 Nd1 110.17(3) 5 1_465
Nd2 Sb1 Nd1 69.83(3) 1_565 1_465
Nd2 Sb1 Nd1 69.35(2) 5_565 1_465
Nd2 Sb1 Nd1 110.65(2) . 1_465
Nd1 Sb1 Nd1 107.83(2) 5_665 1_465
Nd1 Sb1 Nd1 72.17(2) 1_455 1_465
Nd1 Sb1 Nd1 180.00(3) 5_655 1_465
Nd2 Sb1 Ca1 72.51(13) 5 1_455
Nd2 Sb1 Ca1 107.49(13) 1_565 1_455
Nd2 Sb1 Ca1 110.52(15) 5_565 1_455
Nd2 Sb1 Ca1 69.48(15) . 1_455
Nd1 Sb1 Ca1 176.59(10) 5_665 1_455
Nd1 Sb1 Ca1 3.41(10) 1_455 1_455
Nd1 Sb1 Ca1 110.53(8) 5_655 1_455
Nd1 Sb1 Ca1 69.47(8) 1_465 1_455
Nd2 Sb1 Ca1 107.49(13) 5 5_665
Nd2 Sb1 Ca1 72.51(13) 1_565 5_665
Nd2 Sb1 Ca1 69.48(15) 5_565 5_665
Nd2 Sb1 Ca1 110.52(15) . 5_665
Nd1 Sb1 Ca1 3.41(10) 5_665 5_665
Nd1 Sb1 Ca1 176.59(10) 1_455 5_665
Nd1 Sb1 Ca1 69.47(8) 5_655 5_665
Nd1 Sb1 Ca1 110.53(8) 1_465 5_665
Ca1 Sb1 Ca1 180.0(3) 1_455 5_665
Nd2 Sb1 Ca1 69.48(15) 5 5_655
Nd2 Sb1 Ca1 110.52(15) 1_565 5_655
Nd2 Sb1 Ca1 107.49(13) 5_565 5_655
Nd2 Sb1 Ca1 72.51(13) . 5_655
Nd1 Sb1 Ca1 69.47(8) 5_665 5_655
Nd1 Sb1 Ca1 110.53(8) 1_455 5_655
Nd1 Sb1 Ca1 3.41(10) 5_655 5_655
Nd1 Sb1 Ca1 176.59(10) 1_465 5_655
Ca1 Sb1 Ca1 113.30(15) 1_455 5_655
Ca1 Sb1 Ca1 66.70(15) 5_665 5_655
Nd2 Sb1 Ca1 110.52(15) 5 1_465
Nd2 Sb1 Ca1 69.48(15) 1_565 1_465
Nd2 Sb1 Ca1 72.51(13) 5_565 1_465
Nd2 Sb1 Ca1 107.49(13) . 1_465
Nd1 Sb1 Ca1 110.53(8) 5_665 1_465
Nd1 Sb1 Ca1 69.47(8) 1_455 1_465
Nd1 Sb1 Ca1 176.59(10) 5_655 1_465
Nd1 Sb1 Ca1 3.41(10) 1_465 1_465
Ca1 Sb1 Ca1 66.70(15) 1_455 1_465
Ca1 Sb1 Ca1 113.30(15) 5_665 1_465
Ca1 Sb1 Ca1 180.0(3) 5_655 1_465
Ca5 Sb2 Nd3 109.9(4) 7_556 3_455
Ca5 Sb2 Ca5 76.5(7) 7_556 7_546
Nd3 Sb2 Ca5 171.0(5) 3_455 7_546
Ca5 Sb2 Nd4 66.9(5) 7_556 7_556
Nd3 Sb2 Nd4 71.23(6) 3_455 7_556
Ca5 Sb2 Nd4 106.7(3) 7_546 7_556
Ca5 Sb2 Nd5 75.1(4) 7_556 3_455
Nd3 Sb2 Nd5 75.03(7) 3_455 3_455
Ca5 Sb2 Nd5 113.3(4) 7_546 3_455
Nd4 Sb2 Nd5 114.81(13) 7_556 3_455
Ca5 Sb2 Nd3 173.6(4) 7_556 3_445
Nd3 Sb2 Nd3 72.03(3) 3_455 3_445
Ca5 Sb2 Nd3 100.9(4) 7_546 3_445
Nd4 Sb2 Nd3 108.69(3) 7_556 3_445
Nd5 Sb2 Nd3 111.34(3) 3_455 3_445
Ca5 Sb2 Nd5 5.6(4) 7_556 7_556
Nd3 Sb2 Nd5 114.96(12) 3_455 7_556
Ca5 Sb2 Nd5 71.8(4) 7_546 7_556
Nd4 Sb2 Nd5 71.77(6) 7_556 7_556
Nd5 Sb2 Nd5 74.75(6) 3_455 7_556
Nd3 Sb2 Nd5 172.20(11) 3_445 7_556
Ca5 Sb2 Nd4 106.9(3) 7_556 7_546
Nd3 Sb2 Nd4 108.73(3) 3_455 7_546
Ca5 Sb2 Nd4 62.7(5) 7_546 7_546
Nd4 Sb2 Nd4 70.61(3) 7_556 7_546
Nd5 Sb2 Nd4 174.43(11) 3_455 7_546
Nd3 Sb2 Nd4 66.82(6) 3_445 7_546
Nd5 Sb2 Nd4 106.64(3) 7_556 7_546
Ca5 Sb2 Ca3 113.2(4) 7_556 3_455
Nd3 Sb2 Ca3 3.55(10) 3_455 3_455
Ca5 Sb2 Ca3 169.2(5) 7_546 3_455
Nd4 Sb2 Ca3 74.22(16) 7_556 3_455
Nd5 Sb2 Ca3 75.02(17) 3_455 3_455
Nd3 Sb2 Ca3 68.94(9) 3_445 3_455
Nd5 Sb2 Ca3 118.15(15) 7_556 3_455
Nd4 Sb2 Ca3 108.46(15) 7_546 3_455
Ca5 Sb2 Ca5 69.1(6) 7_556 3_455
Nd3 Sb2 Ca5 82.7(5) 3_455 3_455
Ca5 Sb2 Ca5 105.9(3) 7_546 3_455
Nd4 Sb2 Ca5 115.6(2) 7_556 3_455
Nd5 Sb2 Ca5 8.2(5) 3_455 3_455
Nd3 Sb2 Ca5 117.4(4) 3_445 3_455
Nd5 Sb2 Ca5 68.2(5) 7_556 3_455
Nd4 Sb2 Ca5 168.5(5) 7_546 3_455
Ca3 Sb2 Ca5 82.9(5) 3_455 3_455
Ca5 Sb2 Nd5 113.6(5) 7_556 3_445
Nd3 Sb2 Nd5 111.45(3) 3_455 3_445
Ca5 Sb2 Nd5 70.2(3) 7_546 3_445
Nd4 Sb2 Nd5 176.38(11) 7_556 3_445
Nd5 Sb2 Nd5 68.58(2) 3_455 3_445
Nd3 Sb2 Nd5 70.42(7) 3_445 3_445
Nd5 Sb2 Nd5 108.60(3) 7_556 3_445
Nd4 Sb2 Nd5 105.97(11) 7_546 3_445
Ca3 Sb2 Nd5 108.37(15) 3_455 3_445
Ca5 Sb2 Nd5 67.55(18) 3_455 3_445
Ca5 Sb2 Ca4 69.2(5) 7_556 7_556
Nd3 Sb2 Ca4 72.2(2) 3_455 7_556
Ca5 Sb2 Ca4 105.2(4) 7_546 7_556
Nd4 Sb2 Ca4 3.40(15) 7_556 7_556
Nd5 Sb2 Ca4 118.15(19) 3_455 7_556
Nd3 Sb2 Ca4 106.2(2) 3_445 7_556
Nd5 Sb2 Ca4 73.9(3) 7_556 7_556
Nd4 Sb2 Ca4 67.28(14) 7_546 7_556
Ca3 Sb2 Ca4 75.1(3) 3_455 7_556
Ca5 Sb2 Ca4 119.0(3) 3_455 7_556
Nd5 Sb2 Ca4 173.24(18) 3_445 7_556
Ca2 O1 Ca1 108.3(3) . 3_455
Ca2 O1 Ca1 108.3(3) . 3_445
Ca1 O1 Ca1 123.5(5) 3_455 3_445
Ca2 O1 Nd1 115.68(17) . 3_455
Ca1 O1 Nd1 7.5(2) 3_455 3_455
Ca1 O1 Nd1 119.5(3) 3_445 3_455
Ca2 O1 Nd1 115.68(17) . 3_445
Ca1 O1 Nd1 119.5(3) 3_455 3_445
Ca1 O1 Nd1 7.5(2) 3_445 3_445
Nd1 O1 Nd1 114.8(2) 3_455 3_445
Ca2 O1 Nd2 11.2(2) . .
Ca1 O1 Nd2 112.1(2) 3_455 .
Ca1 O1 Nd2 112.1(2) 3_445 .
Nd1 O1 Nd2 119.17(13) 3_455 .
Nd1 O1 Nd2 119.17(13) 3_445 .
Ca2 O1 Nd1 114.1(3) . 5_655
Ca1 O1 Nd1 101.3(3) 3_455 5_655
Ca1 O1 Nd1 101.3(3) 3_445 5_655
Nd1 O1 Nd1 96.66(16) 3_455 5_655
Nd1 O1 Nd1 96.66(16) 3_445 5_655
Nd2 O1 Nd1 102.9(2) . 5_655
Ca2 O1 Ca1 119.8(4) . 5_655
Ca1 O1 Ca1 98.7(3) 3_455 5_655
Ca1 O1 Ca1 98.7(3) 3_445 5_655
Nd1 O1 Ca1 93.60(18) 3_455 5_655
Nd1 O1 Ca1 93.60(18) 3_445 5_655
Nd2 O1 Ca1 108.6(3) . 5_655
Nd1 O1 Ca1 5.7(2) 5_655 5_655
Ca2 O2 Ca2 126.9(5) 3_545 3
Ca2 O2 Nd2 11.3(2) 3_545 3_545
Ca2 O2 Nd2 122.0(3) 3 3_545
Ca2 O2 Nd2 122.0(3) 3_545 3
Ca2 O2 Nd2 11.3(2) 3 3
Nd2 O2 Nd2 115.3(2) 3_545 3
Ca2 O2 Nd4 107.6(3) 3_545 5_656
Ca2 O2 Nd4 107.6(3) 3 5_656
Nd2 O2 Nd4 118.35(13) 3_545 5_656
Nd2 O2 Nd4 118.35(13) 3 5_656
Ca2 O2 Ca4 104.2(4) 3_545 5_656
Ca2 O2 Ca4 104.2(4) 3 5_656
Nd2 O2 Ca4 115.4(2) 3_545 5_656
Nd2 O2 Ca4 115.4(2) 3 5_656
Nd4 O2 Ca4 9.4(4) 5_656 5_656
Ca2 O2 Nd3 104.4(3) 3_545 .
Ca2 O2 Nd3 104.4(3) 3 .
Nd2 O2 Nd3 97.46(15) 3_545 .
Nd2 O2 Nd3 97.46(15) 3 .
Nd4 O2 Nd3 103.4(2) 5_656 .
Ca4 O2 Nd3 112.8(5) 5_656 .
Ca2 O2 Ca3 101.6(3) 3_545 .
Ca2 O2 Ca3 101.6(3) 3 .
Nd2 O2 Ca3 93.71(19) 3_545 .
Nd2 O2 Ca3 93.71(19) 3 .
Nd4 O2 Ca3 110.5(3) 5_656 .
Ca4 O2 Ca3 119.9(6) 5_656 .
Nd3 O2 Ca3 7.1(2) . .
Ca3 O3 Ca3 125.3(6) 7_546 7_556
Ca3 O3 Ca1 109.4(3) 7_546 5_656
Ca3 O3 Ca1 109.4(3) 7_556 5_656
Ca3 O3 Nd3 8.4(2) 7_546 7_546
Ca3 O3 Nd3 119.8(4) 7_556 7_546
Ca1 O3 Nd3 117.77(16) 5_656 7_546
Ca3 O3 Nd3 119.8(4) 7_546 7_556
Ca3 O3 Nd3 8.4(2) 7_556 7_556
Ca1 O3 Nd3 117.77(16) 5_656 7_556
Nd3 O3 Nd3 113.7(2) 7_546 7_556
Ca3 O3 Nd1 111.8(3) 7_546 5_656
Ca3 O3 Nd1 111.8(3) 7_556 5_656
Ca1 O3 Nd1 7.5(2) 5_656 5_656
Nd3 O3 Nd1 119.96(13) 7_546 5_656
Nd3 O3 Nd1 119.96(13) 7_556 5_656
Ca3 O3 Nd2 100.6(3) 7_546 5_556
Ca3 O3 Nd2 100.6(3) 7_556 5_556
Ca1 O3 Nd2 110.2(3) 5_656 5_556
Nd3 O3 Nd2 96.21(16) 7_546 5_556
Nd3 O3 Nd2 96.21(16) 7_556 5_556
Nd1 O3 Nd2 102.7(2) 5_656 5_556
Ca3 O3 Ca2 97.1(3) 7_546 5_556
Ca3 O3 Ca2 97.1(3) 7_556 5_556
Ca1 O3 Ca2 118.2(4) 5_656 5_556
Nd3 O3 Ca2 91.89(19) 7_546 5_556
Nd3 O3 Ca2 91.89(19) 7_556 5_556
Nd1 O3 Ca2 110.6(3) 5_656 5_556
Nd2 O3 Ca2 7.95(18) 5_556 5_556
Ca4 O4 Ca4 129.8(8) 7_546 7_556
Ca4 O4 Ca3 106.9(5) 7_546 .
Ca4 O4 Ca3 106.9(5) 7_556 .
Ca4 O4 Nd3 109.6(5) 7_546 .
Ca4 O4 Nd3 109.6(5) 7_556 .
Ca3 O4 Nd3 8.9(2) . .
Ca4 O4 Nd4 9.1(5) 7_546 7_546
Ca4 O4 Nd4 123.0(5) 7_556 7_546
Ca3 O4 Nd4 116.0(2) . 7_546
Nd3 O4 Nd4 118.70(17) . 7_546
Ca4 O4 Nd4 123.0(5) 7_546 7_556
Ca4 O4 Nd4 9.1(5) 7_556 7_556
Ca3 O4 Nd4 116.0(2) . 7_556
Nd3 O4 Nd4 118.70(17) . 7_556
Nd4 O4 Nd4 115.6(3) 7_546 7_556
Ca4 O4 Nd5 99.0(5) 7_546 .
Ca4 O4 Nd5 99.0(5) 7_556 .
Ca3 O4 Nd5 115.0(4) . .
Nd3 O4 Nd5 106.1(3) . .
Nd4 O4 Nd5 95.1(2) 7_546 .
Nd4 O4 Nd5 95.1(2) 7_556 .
Ca5 O5 Nd5 110.2(4) . 7_546
Ca5 O5 Nd5 110.2(4) . 7_556
Nd5 O5 Nd5 116.5(2) 7_546 7_556
Ca5 O5 Nd4 103.7(9) . .
Nd5 O5 Nd4 107.66(14) 7_546 .
Nd5 O5 Nd4 107.66(14) 7_556 .
Ca5 O5 Nd5 12.0(9) . .
Nd5 O5 Nd5 104.82(15) 7_546 .
Nd5 O5 Nd5 104.82(15) 7_556 .
Nd4 O5 Nd5 115.7(2) . .
Ca5 O5 Ca4 112.5(10) . .
Nd5 O5 Ca4 103.5(2) 7_546 .
Nd5 O5 Ca4 103.5(2) 7_556 .
Nd4 O5 Ca4 8.8(4) . .
Nd5 O5 Ca4 124.5(4) . .
Ca5 O5 Ca5 104.4(5) . 7_546
Nd5 O5 Ca5 11.7(7) 7_546 7_546
Nd5 O5 Ca5 111.0(5) 7_556 7_546
Nd4 O5 Ca5 119.3(7) . 7_546
Nd5 O5 Ca5 97.3(6) . 7_546
Ca4 O5 Ca5 115.2(8) . 7_546
Ca5 O5 Ca5 104.4(5) . 7_556
Nd5 O5 Ca5 111.0(5) 7_546 7_556
Nd5 O5 Ca5 11.7(7) 7_556 7_556
Nd4 O5 Ca5 119.3(7) . 7_556
Nd5 O5 Ca5 97.3(6) . 7_556
Ca4 O5 Ca5 115.2(8) . 7_556
Ca5 O5 Ca5 103.8(11) 7_546 7_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ca1 O1 2.207(5) 3_545
Ca1 O1 2.207(5) 3
Ca1 O3 2.245(11) 5_656
Ca1 O1 2.643(11) 5_655
Ca1 Sb1 3.537(7) 1_655
Ca1 Sb1 3.537(7) 1_645
Ca1 Ca2 3.576(10) 3_545
Ca1 Ca2 3.576(10) 3
Ca1 Nd1 3.617(8) 7_645
Ca1 Nd1 3.617(8) 7_655
Ca1 Ca3 3.620(12) 3
Ca1 Ca3 3.620(12) 3_545
Nd1 O1 2.308(3) 3_545
Nd1 O1 2.308(3) 3
Nd1 O3 2.327(6) 5_656
Nd1 O1 2.465(6) 5_655
Nd1 Sb1 3.3010(9) 1_655
Nd1 Sb1 3.3010(9) 1_645
Nd1 Nd1 3.567(2) 7_645
Nd1 Nd1 3.567(2) 7_655
Nd1 Ca1 3.617(8) 7_645
Nd1 Ca1 3.617(8) 7_655
Nd1 Ca3 3.740(9) 3
Nd1 Ca3 3.740(9) 3_545
Ca2 O2 2.174(4) 3_455
Ca2 O2 2.174(4) 3_445
Ca2 O1 2.205(9) .
Ca2 O3 2.773(10) 5_556
Ca2 Ca1 3.576(10) 3_455
Ca2 Ca1 3.576(10) 3_445
Ca2 Ca4 3.578(17) 7_556
Ca2 Ca4 3.578(17) 7_546
Ca2 Sb1 3.630(8) 1_545
Ca2 Sb1 3.630(8) .
Ca2 Nd4 3.641(8) 7_556
Ca2 Nd4 3.641(8) 7_546
Nd2 O2 2.301(3) 3_455
Nd2 O2 2.301(3) 3_445
Nd2 O1 2.324(5) .
Nd2 O3 2.496(6) 5_556
Nd2 Sb1 3.2830(10) 1_545
Nd2 Sb1 3.2830(10) .
Nd2 Nd3 3.5889(11) 3_455
Nd2 Nd3 3.5889(11) 3_445
Nd2 Ca3 3.609(9) 3_445
Nd2 Ca3 3.609(9) 3_455
Nd2 Nd1 3.7456(15) 5_655
Nd2 Ca1 3.760(8) 3_455
Ca3 O3 2.189(6) 7_546
Ca3 O3 2.189(6) 7_556
Ca3 O4 2.241(12) .
Ca3 O2 2.635(12) .
Ca3 Sb2 3.499(9) 8
Ca3 Sb2 3.499(9) 3_545
Ca3 Ca4 3.526(17) 7_546
Ca3 Ca4 3.526(17) 7_556
Ca3 Nd2 3.609(9) 3
Ca3 Nd2 3.609(9) 3_545
Ca3 Ca1 3.620(12) 3_445
Ca3 Ca1 3.620(12) 3_455
Nd3 O4 2.295(6) .
Nd3 O3 2.323(3) 7_546
Nd3 O3 2.323(3) 7_556
Nd3 O2 2.471(6) .
Nd3 Sb2 3.210(3) 8
Nd3 Sb2 3.210(3) 3_545
Nd3 Sb2 3.398(3) 3
Nd3 Sb2 3.398(3) 8_545
Nd3 Nd2 3.5889(11) 3
Nd3 Nd2 3.5889(11) 3_545
Nd3 Ca4 3.630(15) 7_546
Nd3 Ca4 3.630(15) 7_556
Ca4 O4 2.147(7) 7_546
Ca4 O4 2.147(7) 7_556
Ca4 O2 2.358(17) 5_656
Ca4 O5 2.430(18) .
Ca4 Ca3 3.526(17) 7_546
Ca4 Ca3 3.526(17) 7_556
Ca4 Ca2 3.578(17) 7_556
Ca4 Ca2 3.578(17) 7_546
Ca4 Sb2 3.596(15) 7_556
Ca4 Sb2 3.596(15) 4_546
Ca4 Nd3 3.630(15) 7_546
Ca4 Nd3 3.630(15) 7_556
Nd4 O5 2.297(5) .
Nd4 O4 2.298(3) 7_546
Nd4 O4 2.298(3) 7_556
Nd4 O2 2.335(5) 5_656
Nd4 Sb2 3.269(3) 7_556
Nd4 Sb2 3.269(3) 4_546
Nd4 Sb2 3.454(3) 4_556
Nd4 Sb2 3.454(3) 7_546
Nd4 Ca5 3.48(3) .
Nd4 Ca2 3.641(8) 7_556
Nd4 Ca2 3.641(8) 7_546
Nd4 Nd5 3.6999(12) 7_546
Ca5 Nd5 0.52(3) .
Ca5 O5 2.13(2) .
Ca5 O5 2.471(18) 7_546
Ca5 O5 2.471(18) 7_556
Ca5 Sb2 3.04(3) 7_556
Ca5 Sb2 3.04(3) 4_546
Ca5 Sb2 3.24(3) 4_556
Ca5 Sb2 3.24(3) 7_546
Ca5 Sb2 3.52(2) 8
Ca5 Sb2 3.52(2) 3_545
Ca5 Nd5 3.624(17) 7_546
Nd5 O5 2.286(3) 7_546
Nd5 O5 2.286(3) 7_556
Nd5 O5 2.357(5) .
Nd5 O4 2.702(8) .
Nd5 Sb2 3.358(2) 8
Nd5 Sb2 3.358(2) 3_545
Nd5 Sb2 3.448(3) 7_556
Nd5 Sb2 3.448(3) 4_546
Nd5 Sb2 3.539(3) 3
Nd5 Sb2 3.539(3) 8_545
Nd5 Sb2 3.624(3) 4_556
Sb1 Nd2 3.2830(10) 5
Sb1 Nd2 3.2830(10) 1_565
Sb1 Nd2 3.2830(10) 5_565
Sb1 Nd1 3.3010(9) 5_665
Sb1 Nd1 3.3010(9) 1_455
Sb1 Nd1 3.3010(9) 5_655
Sb1 Nd1 3.3010(9) 1_465
Sb1 Ca1 3.537(7) 1_455
Sb1 Ca1 3.537(7) 5_665
Sb1 Ca1 3.537(7) 5_655
Sb1 Ca1 3.537(7) 1_465
Sb2 Ca5 3.04(3) 7_556
Sb2 Nd3 3.210(3) 3_455
Sb2 Ca5 3.24(3) 7_546
Sb2 Nd4 3.269(2) 7_556
Sb2 Nd5 3.358(2) 3_455
Sb2 Nd3 3.398(3) 3_445
Sb2 Nd5 3.448(3) 7_556
Sb2 Nd4 3.454(3) 7_546
Sb2 Ca3 3.499(9) 3_455
Sb2 Ca5 3.52(2) 3_455
Sb2 Nd5 3.539(3) 3_445
Sb2 Ca4 3.596(15) 7_556
O1 Ca1 2.207(5) 3_455
O1 Ca1 2.207(5) 3_445
O1 Nd1 2.308(3) 3_455
O1 Nd1 2.308(3) 3_445
O1 Nd1 2.465(6) 5_655
O1 Ca1 2.643(11) 5_655
O2 Ca2 2.174(4) 3_545
O2 Ca2 2.174(4) 3
O2 Nd2 2.301(3) 3_545
O2 Nd2 2.301(3) 3
O2 Nd4 2.335(5) 5_656
O2 Ca4 2.358(17) 5_656
O3 Ca3 2.189(6) 7_546
O3 Ca3 2.189(6) 7_556
O3 Ca1 2.245(11) 5_656
O3 Nd3 2.323(3) 7_546
O3 Nd3 2.323(3) 7_556
O3 Nd1 2.327(6) 5_656
O3 Nd2 2.496(6) 5_556
O3 Ca2 2.773(10) 5_556
O4 Ca4 2.147(7) 7_546
O4 Ca4 2.147(7) 7_556
O4 Nd4 2.298(3) 7_546
O4 Nd4 2.298(3) 7_556
O5 Nd5 2.286(3) 7_546
O5 Nd5 2.286(3) 7_556
O5 Ca5 2.471(18) 7_546
O5 Ca5 2.471(18) 7_556
