#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:35:37 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179068 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/30/4303070.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_4303070
loop_
_publ_author_name
'J. Palmer West'
'Shiou-Jyh Hwu'
'Wendy L. Queen'
_publ_section_title
;
Synthesis, Structure, and Magnetic Properties of Na3LnMn3O3(AsO4)3 (Ln = La,
Sm, and Gd): A New 3d-4f Series Exhibiting One-Dimensional Manganese(III)
Oxide Chains Connected via LnO9 Units
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8439
_journal_page_last               8444
_journal_paper_doi               10.1021/ic901043g
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'As3 Gd Mn3 Na3 O15'
_chemical_formula_weight         855.80
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   11.0906(16)
_cell_length_b                   11.0906(16)
_cell_length_c                   5.9540(12)
_cell_measurement_reflns_used    408
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.92
_cell_measurement_theta_min      2.12
_cell_volume                     634.23(18)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_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  0.1069
_diffrn_reflns_av_sigmaI/netI    0.0354
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            5285
_diffrn_reflns_theta_full        24.92
_diffrn_reflns_theta_max         24.92
_diffrn_reflns_theta_min         2.12
_exptl_absorpt_coefficient_mu    16.037
_exptl_absorpt_correction_T_max  0.7398
_exptl_absorpt_correction_T_min  0.0602
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB,RIGAKU/MSC,The Woodlands,TX,USA,1999.'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    4.481
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             782
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         3.232
_refine_diff_density_min         -1.386
_refine_diff_density_rms         0.325
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     48
_refine_ls_number_reflns         408
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.0571
_refine_ls_R_factor_gt           0.0466
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1318
_refine_ls_wR_factor_ref         0.1411
_reflns_number_gt                346
_reflns_number_total             408
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901043g_si_002_3.cif
_cod_data_source_block           Na3GdMn3O3(AsO4)3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4303070
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Na Na 0.2630(11) 0.1065(9) -0.2500 0.035(2) Uani 1 2 d S . .
Gd Gd 0.3333 0.6667 0.2500 0.0132(5) Uani 1 6 d S . .
Mn Mn 0.5000 1.0000 0.0000 0.0115(7) Uani 1 2 d S . .
As As 0.59854(18) 0.81157(17) -0.2500 0.0142(6) Uani 1 2 d S . .
O(1) O 0.3850(12) 0.9134(12) 0.2500 0.013(2) Uani 1 2 d S . .
O(2) O 0.5147(9) 0.8235(8) -0.0204(15) 0.0159(19) Uani 1 1 d . . .
O(3) O 0.5800(12) 0.6504(12) -0.2500 0.015(3) Uani 1 2 d S . .
O(4) O 0.7673(14) 0.9154(16) -0.2500 0.038(4) 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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 '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
_geom_angle_publ_flag
O(4) Na O(4) 108.5(7) 3_565 2_655 ?
O(4) Na O(3) 170.4(7) 3_565 2_655 ?
O(4) Na O(3) 61.9(4) 2_655 2_655 ?
O(4) Na O(2) 121.5(4) 3_565 7_665 ?
O(4) Na O(2) 114.5(4) 2_655 7_665 ?
O(3) Na O(2) 65.6(3) 2_655 7_665 ?
O(4) Na O(2) 121.5(4) 3_565 4_664 ?
O(4) Na O(2) 114.5(4) 2_655 4_664 ?
O(3) Na O(2) 65.6(3) 2_655 4_664 ?
O(2) Na O(2) 72.8(4) 7_665 4_664 ?
O(4) Na O(1) 74.5(5) 3_565 9_655 ?
O(4) Na O(1) 177.0(6) 2_655 9_655 ?
O(3) Na O(1) 115.2(5) 2_655 9_655 ?
O(2) Na O(1) 63.3(3) 7_665 9_655 ?
O(2) Na O(1) 63.3(3) 4_664 9_655 ?
O(4) Na O(4) 88.6(4) 3_565 7_664 ?
O(4) Na O(4) 85.1(4) 2_655 7_664 ?
O(3) Na O(4) 90.4(3) 2_655 7_664 ?
O(2) Na O(4) 131.5(5) 7_665 7_664 ?
O(2) Na O(4) 58.8(3) 4_664 7_664 ?
O(1) Na O(4) 95.0(3) 9_655 7_664 ?
O(4) Na O(4) 88.6(4) 3_565 7_665 ?
O(4) Na O(4) 85.1(4) 2_655 7_665 ?
O(3) Na O(4) 90.4(3) 2_655 7_665 ?
O(2) Na O(4) 58.8(3) 7_665 7_665 ?
O(2) Na O(4) 131.5(5) 4_664 7_665 ?
O(1) Na O(4) 95.0(3) 9_655 7_665 ?
O(4) Na O(4) 168.5(7) 7_664 7_665 ?
O(4) Na As 138.7(5) 3_565 2_655 ?
O(4) Na As 30.2(3) 2_655 2_655 ?
O(3) Na As 31.7(3) 2_655 2_655 ?
O(2) Na As 90.7(2) 7_665 2_655 ?
O(2) Na As 90.7(2) 4_664 2_655 ?
O(1) Na As 146.9(4) 9_655 2_655 ?
O(4) Na As 87.4(3) 7_664 2_655 ?
O(4) Na As 87.4(3) 7_665 2_655 ?
O(4) Na As 99.0(2) 3_565 7_665 ?
O(4) Na As 108.05(18) 2_655 7_665 ?
O(3) Na As 84.81(19) 2_655 7_665 ?
O(2) Na As 31.27(19) 7_665 7_665 ?
O(2) Na As 103.2(3) 4_664 7_665 ?
O(1) Na As 71.14(19) 9_655 7_665 ?
O(4) Na As 161.5(5) 7_664 7_665 ?
O(4) Na As 29.9(3) 7_665 7_665 ?
As Na As 97.65(14) 2_655 7_665 ?
O(4) Na As 99.0(2) 3_565 7_664 ?
O(4) Na As 108.05(18) 2_655 7_664 ?
O(3) Na As 84.81(19) 2_655 7_664 ?
O(2) Na As 103.2(3) 7_665 7_664 ?
O(2) Na As 31.27(19) 4_664 7_664 ?
O(1) Na As 71.14(19) 9_655 7_664 ?
O(4) Na As 29.9(3) 7_664 7_664 ?
O(4) Na As 161.5(5) 7_665 7_664 ?
As Na As 97.65(14) 2_655 7_664 ?
As Na As 131.6(3) 7_665 7_664 ?
O(4) Na Mn 152.6(2) 3_565 1_545 ?
O(4) Na Mn 85.8(4) 2_655 1_545 ?
O(3) Na Mn 33.0(2) 2_655 1_545 ?
O(2) Na Mn 33.03(17) 7_665 1_545 ?
O(2) Na Mn 68.9(2) 4_664 1_545 ?
O(1) Na Mn 91.5(3) 9_655 1_545 ?
O(4) Na Mn 116.4(4) 7_664 1_545 ?
O(4) Na Mn 69.0(3) 7_665 1_545 ?
As Na Mn 58.58(12) 2_655 1_545 ?
As Na Mn 53.85(10) 7_665 1_545 ?
As Na Mn 98.4(2) 7_664 1_545 ?
O(2) Gd O(2) 80.9(4) 2_665 11_666 ?
O(2) Gd O(2) 135.26(14) 2_665 10_556 ?
O(2) Gd O(2) 82.5(3) 11_666 10_556 ?
O(2) Gd O(2) 82.5(3) 2_665 . ?
O(2) Gd O(2) 135.26(14) 11_666 . ?
O(2) Gd O(2) 80.9(4) 10_556 . ?
O(2) Gd O(2) 82.5(3) 2_665 3_565 ?
O(2) Gd O(2) 135.26(15) 11_666 3_565 ?
O(2) Gd O(2) 135.26(15) 10_556 3_565 ?
O(2) Gd O(2) 82.5(3) . 3_565 ?
O(2) Gd O(2) 135.26(15) 2_665 12_566 ?
O(2) Gd O(2) 82.5(3) 11_666 12_566 ?
O(2) Gd O(2) 82.5(3) 10_556 12_566 ?
O(2) Gd O(2) 135.26(14) . 12_566 ?
O(2) Gd O(2) 80.9(4) 3_565 12_566 ?
O(2) Gd O(1) 70.7(3) 2_665 . ?
O(2) Gd O(1) 70.7(3) 11_666 . ?
O(2) Gd O(1) 64.6(3) 10_556 . ?
O(2) Gd O(1) 64.6(3) . . ?
O(2) Gd O(1) 139.4(2) 3_565 . ?
O(2) Gd O(1) 139.4(2) 12_566 . ?
O(2) Gd O(1) 64.6(3) 2_665 2_665 ?
O(2) Gd O(1) 64.6(3) 11_666 2_665 ?
O(2) Gd O(1) 139.4(2) 10_556 2_665 ?
O(2) Gd O(1) 139.4(2) . 2_665 ?
O(2) Gd O(1) 70.7(3) 3_565 2_665 ?
O(2) Gd O(1) 70.7(3) 12_566 2_665 ?
O(1) Gd O(1) 120.000(1) . 2_665 ?
O(2) Gd O(1) 139.4(2) 2_665 3_565 ?
O(2) Gd O(1) 139.4(2) 11_666 3_565 ?
O(2) Gd O(1) 70.7(3) 10_556 3_565 ?
O(2) Gd O(1) 70.7(3) . 3_565 ?
O(2) Gd O(1) 64.6(3) 3_565 3_565 ?
O(2) Gd O(1) 64.6(3) 12_566 3_565 ?
O(1) Gd O(1) 120.000(2) . 3_565 ?
O(1) Gd O(1) 120.000(1) 2_665 3_565 ?
O(2) Gd Mn 34.56(17) 2_665 2_665 ?
O(2) Gd Mn 73.94(19) 11_666 2_665 ?
O(2) Gd Mn 155.44(19) 10_556 2_665 ?
O(2) Gd Mn 111.3(2) . 2_665 ?
O(2) Gd Mn 68.93(17) 3_565 2_665 ?
O(2) Gd Mn 100.80(18) 12_566 2_665 ?
O(1) Gd Mn 100.4(2) . 2_665 ?
O(1) Gd Mn 30.72(15) 2_665 2_665 ?
O(1) Gd Mn 132.8(2) 3_565 2_665 ?
O(2) Gd Mn 100.80(18) 2_665 4_675 ?
O(2) Gd Mn 68.93(17) 11_666 4_675 ?
O(2) Gd Mn 34.56(17) 10_556 4_675 ?
O(2) Gd Mn 73.94(18) . 4_675 ?
O(2) Gd Mn 155.44(19) 3_565 4_675 ?
O(2) Gd Mn 111.3(2) 12_566 4_675 ?
O(1) Gd Mn 30.72(15) . 4_675 ?
O(1) Gd Mn 132.8(2) 2_665 4_675 ?
O(1) Gd Mn 100.4(2) 3_565 4_675 ?
Mn Gd Mn 126.077(3) 2_665 4_675 ?
O(2) Gd Mn 73.94(19) 2_665 5_455 ?
O(2) Gd Mn 34.56(17) 11_666 5_455 ?
O(2) Gd Mn 111.3(2) 10_556 5_455 ?
O(2) Gd Mn 155.44(19) . 5_455 ?
O(2) Gd Mn 100.80(18) 3_565 5_455 ?
O(2) Gd Mn 68.93(17) 12_566 5_455 ?
O(1) Gd Mn 100.4(2) . 5_455 ?
O(1) Gd Mn 30.72(15) 2_665 5_455 ?
O(1) Gd Mn 132.8(2) 3_565 5_455 ?
Mn Gd Mn 49.870(11) 2_665 5_455 ?
Mn Gd Mn 103.497(6) 4_675 5_455 ?
O(1) Mn O(1) 180.000(2) 7_675 . ?
O(1) Mn O(2) 85.2(4) 7_675 7_675 ?
O(1) Mn O(2) 94.8(4) . 7_675 ?
O(1) Mn O(2) 94.8(4) 7_675 . ?
O(1) Mn O(2) 85.2(4) . . ?
O(2) Mn O(2) 180.000(1) 7_675 . ?
O(1) Mn O(3) 99.4(3) 7_675 8_565 ?
O(1) Mn O(3) 80.6(3) . 8_565 ?
O(2) Mn O(3) 91.8(4) 7_675 8_565 ?
O(2) Mn O(3) 88.2(4) . 8_565 ?
O(1) Mn O(3) 80.6(3) 7_675 2_665 ?
O(1) Mn O(3) 99.4(3) . 2_665 ?
O(2) Mn O(3) 88.2(4) 7_675 2_665 ?
O(2) Mn O(3) 91.8(4) . 2_665 ?
O(3) Mn O(3) 180.000(1) 8_565 2_665 ?
O(1) Mn Mn 142.3(3) 7_675 4_675 ?
O(1) Mn Mn 37.7(3) . 4_675 ?
O(2) Mn Mn 86.6(3) 7_675 4_675 ?
O(2) Mn Mn 93.4(3) . 4_675 ?
O(3) Mn Mn 44.2(2) 8_565 4_675 ?
O(3) Mn Mn 135.8(2) 2_665 4_675 ?
O(1) Mn Mn 37.7(3) 7_675 4_674 ?
O(1) Mn Mn 142.3(3) . 4_674 ?
O(2) Mn Mn 93.4(3) 7_675 4_674 ?
O(2) Mn Mn 86.6(3) . 4_674 ?
O(3) Mn Mn 135.8(2) 8_565 4_674 ?
O(3) Mn Mn 44.2(2) 2_665 4_674 ?
Mn Mn Mn 180.0 4_675 4_674 ?
O(1) Mn Gd 42.8(3) 7_675 7_675 ?
O(1) Mn Gd 137.2(3) . 7_675 ?
O(2) Mn Gd 43.5(2) 7_675 7_675 ?
O(2) Mn Gd 136.5(2) . 7_675 ?
O(3) Mn Gd 90.4(3) 8_565 7_675 ?
O(3) Mn Gd 89.6(3) 2_665 7_675 ?
Mn Mn Gd 114.935(5) 4_675 7_675 ?
Mn Mn Gd 65.065(5) 4_674 7_675 ?
O(1) Mn Gd 137.2(3) 7_675 . ?
O(1) Mn Gd 42.8(3) . . ?
O(2) Mn Gd 136.5(2) 7_675 . ?
O(2) Mn Gd 43.5(2) . . ?
O(3) Mn Gd 89.6(3) 8_565 . ?
O(3) Mn Gd 90.4(3) 2_665 . ?
Mn Mn Gd 65.065(5) 4_675 . ?
Mn Mn Gd 114.935(5) 4_674 . ?
Gd Mn Gd 180.0 7_675 . ?
O(1) Mn Na 94.2(3) 7_675 7_665 ?
O(1) Mn Na 85.8(3) . 7_665 ?
O(2) Mn Na 133.8(3) 7_675 7_665 ?
O(2) Mn Na 46.2(3) . 7_665 ?
O(3) Mn Na 42.6(3) 8_565 7_665 ?
O(3) Mn Na 137.4(3) 2_665 7_665 ?
Mn Mn Na 66.22(5) 4_675 7_665 ?
Mn Mn Na 113.78(5) 4_674 7_665 ?
Gd Mn Na 114.91(15) 7_675 7_665 ?
Gd Mn Na 65.09(15) . 7_665 ?
O(1) Mn Na 85.8(3) 7_675 1_565 ?
O(1) Mn Na 94.2(3) . 1_565 ?
O(2) Mn Na 46.2(3) 7_675 1_565 ?
O(2) Mn Na 133.8(3) . 1_565 ?
O(3) Mn Na 137.4(3) 8_565 1_565 ?
O(3) Mn Na 42.6(3) 2_665 1_565 ?
Mn Mn Na 113.78(5) 4_675 1_565 ?
Mn Mn Na 66.22(5) 4_674 1_565 ?
Gd Mn Na 65.09(15) 7_675 1_565 ?
Gd Mn Na 114.91(15) . 1_565 ?
Na Mn Na 180.000(1) 7_665 1_565 ?
O(4) As O(3) 103.6(7) . . ?
O(4) As O(2) 115.1(4) . 10 ?
O(3) As O(2) 107.5(3) . 10 ?
O(4) As O(2) 115.1(4) . . ?
O(3) As O(2) 107.5(3) . . ?
O(2) As O(2) 107.5(6) 10 . ?
O(4) As Na 50.5(6) . 3_665 ?
O(3) As Na 53.2(4) . 3_665 ?
O(2) As Na 126.0(3) 10 3_665 ?
O(2) As Na 126.0(3) . 3_665 ?
O(4) As Na 65.82(17) . 7_665 ?
O(3) As Na 94.9(2) . 7_665 ?
O(2) As Na 156.1(3) 10 7_665 ?
O(2) As Na 56.1(3) . 7_665 ?
Na As Na 74.39(19) 3_665 7_665 ?
O(4) As Na 65.82(17) . 7_664 ?
O(3) As Na 94.9(2) . 7_664 ?
O(2) As Na 56.1(3) 10 7_664 ?
O(2) As Na 156.1(3) . 7_664 ?
Na As Na 74.39(19) 3_665 7_664 ?
Na As Na 131.6(3) 7_665 7_664 ?
Mn O(1) Mn 104.6(6) 4_675 . ?
Mn O(1) Gd 106.5(4) 4_675 . ?
Mn O(1) Gd 106.5(4) . . ?
Mn O(1) Na 121.1(3) 4_675 8_565 ?
Mn O(1) Na 121.1(3) . 8_565 ?
Gd O(1) Na 94.6(4) . 8_565 ?
As O(2) Mn 115.5(4) . . ?
As O(2) Gd 138.8(4) . . ?
Mn O(2) Gd 102.0(3) . . ?
As O(2) Na 92.6(4) . 7_665 ?
Mn O(2) Na 100.7(4) . 7_665 ?
Gd O(2) Na 96.8(3) . 7_665 ?
As O(3) Mn 128.8(3) . 6_654 ?
As O(3) Mn 128.8(3) . 3_565 ?
Mn O(3) Mn 91.7(4) 6_654 3_565 ?
As O(3) Na 95.1(5) . 3_665 ?
Mn O(3) Na 104.4(4) 6_654 3_665 ?
Mn O(3) Na 104.4(4) 3_565 3_665 ?
As O(4) Na 129.1(9) . 2_665 ?
As O(4) Na 99.3(7) . 3_665 ?
Na O(4) Na 131.5(7) 2_665 3_665 ?
As O(4) Na 84.3(3) . 7_664 ?
Na O(4) Na 94.1(3) 2_665 7_664 ?
Na O(4) Na 90.3(3) 3_665 7_664 ?
As O(4) Na 84.3(3) . 7_665 ?
Na O(4) Na 94.1(3) 2_665 7_665 ?
Na O(4) Na 90.3(3) 3_665 7_665 ?
Na O(4) Na 168.5(7) 7_664 7_665 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Na O(4) 2.317(17) 3_565 ?
Na O(4) 2.510(19) 2_655 ?
Na O(3) 2.580(14) 2_655 ?
Na O(2) 2.713(12) 7_665 ?
Na O(2) 2.713(12) 4_664 ?
Na O(1) 2.783(14) 9_655 ?
Na O(4) 2.9922(19) 7_664 ?
Na O(4) 2.9922(19) 7_665 ?
Na As 3.211(8) 2_655 ?
Na As 3.264(4) 7_665 ?
Na As 3.264(4) 7_664 ?
Na Mn 3.691(8) 1_545 ?
Gd O(2) 2.482(9) 2_665 ?
Gd O(2) 2.482(9) 11_666 ?
Gd O(2) 2.482(9) 10_556 ?
Gd O(2) 2.482(9) . ?
Gd O(2) 2.482(9) 3_565 ?
Gd O(2) 2.482(9) 12_566 ?
Gd O(1) 2.500(11) . ?
Gd O(1) 2.500(12) 2_665 ?
Gd O(1) 2.500(11) 3_565 ?
Gd Mn 3.5307(4) 2_665 ?
Gd Mn 3.5307(4) 4_675 ?
Gd Mn 3.5307(4) 5_455 ?
Mn O(1) 1.882(7) 7_675 ?
Mn O(1) 1.882(7) . ?
Mn O(2) 2.048(7) 7_675 ?
Mn O(2) 2.048(7) . ?
Mn O(3) 2.075(8) 8_565 ?
Mn O(3) 2.075(8) 2_665 ?
Mn Mn 2.9770(6) 4_675 ?
Mn Mn 2.9770(6) 4_674 ?
Mn Gd 3.5307(4) 7_675 ?
Mn Na 3.691(8) 7_665 ?
Mn Na 3.691(8) 1_565 ?
As O(4) 1.635(14) . ?
As O(3) 1.694(12) . ?
As O(2) 1.696(9) 10 ?
As O(2) 1.696(9) . ?
As Na 3.211(8) 3_665 ?
As Na 3.264(4) 7_665 ?
As Na 3.264(4) 7_664 ?
O(1) Mn 1.882(7) 4_675 ?
O(1) Na 2.783(14) 8_565 ?
O(2) Na 2.713(12) 7_665 ?
O(3) Mn 2.075(8) 6_654 ?
O(3) Mn 2.075(8) 3_565 ?
O(3) Na 2.580(14) 3_665 ?
O(4) Na 2.317(17) 2_665 ?
O(4) Na 2.510(19) 3_665 ?
O(4) Na 2.9922(19) 7_664 ?
O(4) Na 2.9922(19) 7_665 ?
