#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:09:55 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178771 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/25/4102588.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_4102588
loop_
_publ_author_name
'Peng Wang'
'Scott Forbes'
'Taras Kolodiazhnyi'
'Kosuke Kosuda'
'Yurij Mozharivskyj'
_publ_section_title
;
 Synthesis, Crystal and Electronic Structures of New Narrow-Band-Gap
 Semiconducting Antimonide Oxides RE3SbO3 and RE8Sb3-\dO8, with RE = La,
 Sm, Gd, and Ho
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8795
_journal_page_last               8803
_journal_paper_doi               10.1021/ja1027698
_journal_volume                  132
_journal_year                    2010
_chemical_formula_sum            'O3 Sb Sm3'
_chemical_formula_weight         620.80
_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_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 118.310(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.332(2)
_cell_length_b                   3.9501(4)
_cell_length_c                   11.9187(18)
_cell_measurement_reflns_used    6288
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      68.9
_cell_measurement_theta_min      6.8
_cell_volume                     552.60(14)
_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 0.936
_diffrn_measured_fraction_theta_max 0.936
_diffrn_measurement_device_type  'STOE IPDSII'
_diffrn_measurement_method       'omega scan'
_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  0.0547
_diffrn_reflns_av_sigmaI/netI    0.0818
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            3106
_diffrn_reflns_theta_full        34.45
_diffrn_reflns_theta_max         34.45
_diffrn_reflns_theta_min         3.79
_exptl_absorpt_coefficient_mu    36.133
_exptl_absorpt_correction_T_max  0.5616
_exptl_absorpt_correction_T_min  0.1523
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   X-Red
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    7.462
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Rod
_exptl_crystal_F_000             1044
_exptl_crystal_size_max          0.031
_exptl_crystal_size_mid          0.016
_exptl_crystal_size_min          0.008
_refine_diff_density_max         2.786
_refine_diff_density_min         -4.158
_refine_diff_density_rms         0.517
_refine_ls_extinction_coef       0.00048(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.823
_refine_ls_matrix_type           full
_refine_ls_number_parameters     44
_refine_ls_number_reflns         1221
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.823
_refine_ls_R_factor_all          0.0654
_refine_ls_R_factor_gt           0.0319
_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)+(0.0177P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0448
_refine_ls_wR_factor_ref         0.0500
_reflns_number_gt                849
_reflns_number_total             1221
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja1027698_si_003.cif
_cod_data_source_block           c2m
_cod_original_cell_volume        552.59(13)
_cod_database_code               4102588
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
Sm1 Sm 0.11901(4) 0.0000 0.44387(6) 0.00591(12) Uani 1 2 d S
Sm2 Sm 0.34352(5) 0.0000 0.79306(5) 0.00609(12) Uani 1 2 d S
Sm3 Sm 0.87253(5) 0.0000 0.09963(5) 0.00657(12) Uani 1 2 d S
Sb1 Sb 0.38089(7) 0.0000 0.31886(8) 0.00756(13) Uani 1 2 d S
O1 O 0.3110(6) 0.0000 0.5905(6) 0.0068(14) Uani 1 2 d S
O2 O 0.3367(7) 0.0000 0.9856(7) 0.0101(15) Uani 1 2 d S
O3 O 0.9358(7) 0.0000 0.8037(8) 0.0136(16) 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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sm Sm -0.1638 3.4418 '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 Sm1 O1 118.1(3) 7_556 7_546
O1 Sm1 O1 74.81(18) 7_556 .
O1 Sm1 O1 74.81(18) 7_546 .
O1 Sm1 O3 74.13(17) 7_556 5_656
O1 Sm1 O3 74.13(17) 7_546 5_656
O1 Sm1 O3 117.2(2) . 5_656
O1 Sm1 Sb1 142.02(17) 7_556 3_445
O1 Sm1 Sb1 78.36(16) 7_546 3_445
O1 Sm1 Sb1 142.53(5) . 3_445
O3 Sm1 Sb1 78.95(14) 5_656 3_445
O1 Sm1 Sb1 78.36(16) 7_556 3_455
O1 Sm1 Sb1 142.02(17) 7_546 3_455
O1 Sm1 Sb1 142.53(5) . 3_455
O3 Sm1 Sb1 78.95(14) 5_656 3_455
Sb1 Sm1 Sb1 70.49(2) 3_445 3_455
O1 Sm1 Sb1 79.16(15) 7_556 7_556
O1 Sm1 Sb1 142.60(16) 7_546 7_556
O1 Sm1 Sb1 79.09(13) . 7_556
O3 Sm1 Sb1 142.74(6) 5_656 7_556
Sb1 Sm1 Sb1 109.09(2) 3_445 7_556
Sb1 Sm1 Sb1 70.49(3) 3_455 7_556
O1 Sm1 Sb1 142.60(16) 7_556 7_546
O1 Sm1 Sb1 79.16(15) 7_546 7_546
O1 Sm1 Sb1 79.09(13) . 7_546
O3 Sm1 Sb1 142.74(6) 5_656 7_546
Sb1 Sm1 Sb1 70.49(3) 3_445 7_546
Sb1 Sm1 Sb1 109.09(2) 3_455 7_546
Sb1 Sm1 Sb1 69.874(19) 7_556 7_546
O1 Sm1 Sm1 37.52(16) 7_556 7_556
O1 Sm1 Sm1 97.50(16) 7_546 7_556
O1 Sm1 Sm1 37.28(8) . 7_556
O3 Sm1 Sm1 96.71(15) 5_656 7_556
Sb1 Sm1 Sm1 174.65(3) 3_445 7_556
Sb1 Sm1 Sm1 111.977(14) 3_455 7_556
Sb1 Sm1 Sm1 76.26(2) 7_556 7_556
Sb1 Sm1 Sm1 112.28(3) 7_546 7_556
O1 Sm1 Sm1 97.50(16) 7_556 7_546
O1 Sm1 Sm1 37.52(16) 7_546 7_546
O1 Sm1 Sm1 37.28(8) . 7_546
O3 Sm1 Sm1 96.71(15) 5_656 7_546
Sb1 Sm1 Sm1 111.977(14) 3_445 7_546
Sb1 Sm1 Sm1 174.65(3) 3_455 7_546
Sb1 Sm1 Sm1 112.28(3) 7_556 7_546
Sb1 Sm1 Sm1 76.26(2) 7_546 7_546
Sm1 Sm1 Sm1 65.15(2) 7_556 7_546
O1 Sm1 Sm2 96.33(15) 7_556 7_546
O1 Sm1 Sm2 35.60(15) 7_546 7_546
O1 Sm1 Sm2 94.34(14) . 7_546
O3 Sm1 Sm2 38.64(9) 5_656 7_546
Sb1 Sm1 Sm2 77.938(19) 3_445 7_546
Sb1 Sm1 Sm2 114.35(2) 3_455 7_546
Sb1 Sm1 Sm2 172.78(2) 7_556 7_546
Sb1 Sm1 Sm2 112.059(12) 7_546 7_546
Sm1 Sm1 Sm2 96.72(2) 7_556 7_546
Sm1 Sm1 Sm2 62.439(19) 7_546 7_546
O1 Sm1 Sm2 35.60(15) 7_556 7_556
O1 Sm1 Sm2 96.33(15) 7_546 7_556
O1 Sm1 Sm2 94.34(14) . 7_556
O3 Sm1 Sm2 38.64(9) 5_656 7_556
Sb1 Sm1 Sm2 114.35(2) 3_445 7_556
Sb1 Sm1 Sm2 77.938(19) 3_455 7_556
Sb1 Sm1 Sm2 112.059(12) 7_556 7_556
Sb1 Sm1 Sm2 172.78(2) 7_546 7_556
Sm1 Sm1 Sm2 62.439(19) 7_556 7_556
Sm1 Sm1 Sm2 96.72(2) 7_546 7_556
Sm2 Sm1 Sm2 65.134(14) 7_546 7_556
O1 Sm2 O3 83.4(2) . 3_455
O1 Sm2 O3 83.4(2) . 3_445
O3 Sm2 O3 118.5(4) 3_455 3_445
O1 Sm2 O2 168.2(3) . .
O3 Sm2 O2 102.4(2) 3_455 .
O3 Sm2 O2 102.4(2) 3_445 .
O1 Sm2 Sb1 83.63(15) . 7_546
O3 Sm2 Sb1 153.82(19) 3_455 7_546
O3 Sm2 Sb1 82.35(18) 3_445 7_546
O2 Sm2 Sb1 86.94(16) . 7_546
O1 Sm2 Sb1 83.63(15) . 7_556
O3 Sm2 Sb1 82.35(18) 3_455 7_556
O3 Sm2 Sb1 153.82(19) 3_445 7_556
O2 Sm2 Sb1 86.94(16) . 7_556
Sb1 Sm2 Sb1 73.70(2) 7_546 7_556
O1 Sm2 Sm3 126.39(18) . 5_656
O3 Sm2 Sm3 118.02(18) 3_455 5_656
O3 Sm2 Sm3 118.02(18) 3_445 5_656
O2 Sm2 Sm3 41.8(2) . 5_656
Sb1 Sm2 Sm3 55.102(18) 7_546 5_656
Sb1 Sm2 Sm3 55.102(18) 7_556 5_656
O1 Sm2 Sm1 36.72(8) . 7_546
O3 Sm2 Sm1 103.89(19) 3_455 7_546
O3 Sm2 Sm1 46.8(2) 3_445 7_546
O2 Sm2 Sm1 146.91(3) . 7_546
Sb1 Sm2 Sm1 78.144(19) 7_546 7_546
Sb1 Sm2 Sm1 116.12(2) 7_556 7_546
Sm3 Sm2 Sm1 133.244(16) 5_656 7_546
O1 Sm2 Sm1 36.72(8) . 7_556
O3 Sm2 Sm1 46.8(2) 3_455 7_556
O3 Sm2 Sm1 103.89(19) 3_445 7_556
O2 Sm2 Sm1 146.91(4) . 7_556
Sb1 Sm2 Sm1 116.12(2) 7_546 7_556
Sb1 Sm2 Sm1 78.144(19) 7_556 7_556
Sm3 Sm2 Sm1 133.244(16) 5_656 7_556
Sm1 Sm2 Sm1 65.134(14) 7_546 7_556
O1 Sm2 Sm1 34.04(18) . .
O3 Sm2 Sm1 100.6(2) 3_455 .
O3 Sm2 Sm1 100.6(2) 3_445 .
O2 Sm2 Sm1 134.2(2) . .
Sb1 Sm2 Sm1 57.618(18) 7_546 .
Sb1 Sm2 Sm1 57.619(18) 7_556 .
Sm3 Sm2 Sm1 92.35(2) 5_656 .
Sm1 Sm2 Sm1 58.771(16) 7_546 .
Sm1 Sm2 Sm1 58.771(16) 7_556 .
O1 Sm2 Sm3 90.87(16) . 7_656
O3 Sm2 Sm3 30.41(18) 3_455 7_656
O3 Sm2 Sm3 90.34(18) 3_445 7_656
O2 Sm2 Sm3 99.29(17) . 7_656
Sb1 Sm2 Sm3 171.300(19) 7_546 7_656
Sb1 Sm2 Sm3 112.480(15) 7_556 7_656
Sm3 Sm2 Sm3 133.276(18) 5_656 7_656
Sm1 Sm2 Sm3 93.417(18) 7_546 7_656
Sm1 Sm2 Sm3 61.025(18) 7_556 7_656
Sm1 Sm2 Sm3 119.709(18) . 7_656
O1 Sm2 Sm3 90.87(16) . 7_646
O3 Sm2 Sm3 90.34(18) 3_455 7_646
O3 Sm2 Sm3 30.41(18) 3_445 7_646
O2 Sm2 Sm3 99.29(17) . 7_646
Sb1 Sm2 Sm3 112.480(15) 7_546 7_646
Sb1 Sm2 Sm3 171.300(19) 7_556 7_646
Sm3 Sm2 Sm3 133.276(18) 5_656 7_646
Sm1 Sm2 Sm3 61.025(18) 7_546 7_646
Sm1 Sm2 Sm3 93.417(18) 7_556 7_646
Sm1 Sm2 Sm3 119.709(18) . 7_646
Sm3 Sm2 Sm3 60.708(16) 7_656 7_646
O3 Sm3 O2 99.7(2) 5_756 3_544
O3 Sm3 O2 99.7(2) 5_756 3_554
O2 Sm3 O2 117.1(3) 3_544 3_554
O3 Sm3 O2 174.4(3) 5_756 5_656
O2 Sm3 O2 83.1(2) 3_544 5_656
O2 Sm3 O2 83.1(2) 3_554 5_656
O3 Sm3 Sb1 89.46(17) 5_756 3
O2 Sm3 Sb1 155.98(17) 3_544 3
O2 Sm3 Sb1 82.63(15) 3_554 3
O2 Sm3 Sb1 86.10(13) 5_656 3
O3 Sm3 Sb1 89.46(17) 5_756 3_545
O2 Sm3 Sb1 82.63(15) 3_544 3_545
O2 Sm3 Sb1 155.98(17) 3_554 3_545
O2 Sm3 Sb1 86.10(13) 5_656 3_545
Sb1 Sm3 Sb1 75.26(2) 3 3_545
O3 Sm3 Sm3 142.74(9) 5_756 7_645
O2 Sm3 Sm3 43.2(2) 3_544 7_645
O2 Sm3 Sm3 102.21(18) 3_554 7_645
O2 Sm3 Sm3 39.87(9) 5_656 7_645
Sb1 Sm3 Sm3 122.88(3) 3 7_645
Sb1 Sm3 Sm3 82.54(2) 3_545 7_645
O3 Sm3 Sm3 142.74(9) 5_756 7_655
O2 Sm3 Sm3 102.21(18) 3_544 7_655
O2 Sm3 Sm3 43.2(2) 3_554 7_655
O2 Sm3 Sm3 39.87(9) 5_656 7_655
Sb1 Sm3 Sm3 82.54(2) 3 7_655
Sb1 Sm3 Sm3 122.88(3) 3_545 7_655
Sm3 Sm3 Sm3 66.85(2) 7_645 7_655
O3 Sm3 Sm2 135.3(2) 5_756 5_656
O2 Sm3 Sm2 103.13(19) 3_544 5_656
O2 Sm3 Sm2 103.13(19) 3_554 5_656
O2 Sm3 Sm2 39.09(16) 5_656 5_656
Sb1 Sm3 Sm2 56.615(18) 3 5_656
Sb1 Sm3 Sm2 56.615(18) 3_545 5_656
Sm3 Sm3 Sm2 67.11(2) 7_645 5_656
Sm3 Sm3 Sm2 67.11(2) 7_655 5_656
O3 Sm3 Sm1 42.8(2) 5_756 1_655
O2 Sm3 Sm1 117.36(17) 3_544 1_655
O2 Sm3 Sm1 117.36(17) 3_554 1_655
O2 Sm3 Sm1 131.55(17) 5_656 1_655
Sb1 Sm3 Sm1 56.946(19) 3 1_655
Sb1 Sm3 Sm1 56.946(19) 3_545 1_655
Sm3 Sm3 Sm1 138.978(18) 7_645 1_655
Sm3 Sm3 Sm1 138.978(18) 7_655 1_655
Sm2 Sm3 Sm1 92.46(2) 5_656 1_655
O3 Sm3 Sm2 31.14(4) 5_756 7_656
O2 Sm3 Sm2 121.4(2) 3_544 7_656
O2 Sm3 Sm2 70.08(19) 3_554 7_656
O2 Sm3 Sm2 149.604(12) 5_656 7_656
Sb1 Sm3 Sm2 76.711(19) 3 7_656
Sb1 Sm3 Sm2 112.78(2) 3_545 7_656
Sm3 Sm3 Sm2 158.75(3) 7_645 7_656
Sm3 Sm3 Sm2 112.042(15) 7_655 7_656
Sm2 Sm3 Sm2 133.276(18) 5_656 7_656
Sm1 Sm3 Sm2 56.421(15) 1_655 7_656
O3 Sm3 Sm2 31.14(5) 5_756 7_646
O2 Sm3 Sm2 70.08(19) 3_544 7_646
O2 Sm3 Sm2 121.4(2) 3_554 7_646
O2 Sm3 Sm2 149.604(12) 5_656 7_646
Sb1 Sm3 Sm2 112.78(2) 3 7_646
Sb1 Sm3 Sm2 76.711(19) 3_545 7_646
Sm3 Sm3 Sm2 112.042(15) 7_645 7_646
Sm3 Sm3 Sm2 158.75(3) 7_655 7_646
Sm2 Sm3 Sm2 133.276(18) 5_656 7_646
Sm1 Sm3 Sm2 56.421(15) 1_655 7_646
Sm2 Sm3 Sm2 60.708(16) 7_656 7_646
Sm3 Sb1 Sm3 75.26(2) 3_445 3_455
Sm3 Sb1 Sm2 68.284(19) 3_445 7_546
Sm3 Sb1 Sm2 111.24(3) 3_455 7_546
Sm3 Sb1 Sm2 111.24(3) 3_445 7_556
Sm3 Sb1 Sm2 68.284(19) 3_455 7_556
Sm2 Sb1 Sm2 73.70(2) 7_546 7_556
Sm3 Sb1 Sm1 111.93(3) 3_445 3
Sm3 Sb1 Sm1 70.66(2) 3_455 3
Sm2 Sb1 Sm1 177.98(3) 7_546 3
Sm2 Sb1 Sm1 107.890(14) 7_556 3
Sm3 Sb1 Sm1 70.66(2) 3_445 3_545
Sm3 Sb1 Sm1 111.93(3) 3_455 3_545
Sm2 Sb1 Sm1 107.890(14) 7_546 3_545
Sm2 Sb1 Sm1 177.98(3) 7_556 3_545
Sm1 Sb1 Sm1 70.49(2) 3 3_545
Sm3 Sb1 Sm1 176.79(2) 3_445 7_556
Sm3 Sb1 Sm1 107.405(13) 3_455 7_556
Sm2 Sb1 Sm1 108.82(3) 7_546 7_556
Sm2 Sb1 Sm1 68.63(2) 7_556 7_556
Sm1 Sb1 Sm1 70.91(2) 3 7_556
Sm1 Sb1 Sm1 109.51(3) 3_545 7_556
Sm3 Sb1 Sm1 107.405(13) 3_445 7_546
Sm3 Sb1 Sm1 176.79(2) 3_455 7_546
Sm2 Sb1 Sm1 68.63(2) 7_546 7_546
Sm2 Sb1 Sm1 108.82(3) 7_556 7_546
Sm1 Sb1 Sm1 109.51(3) 3 7_546
Sm1 Sb1 Sm1 70.91(2) 3_545 7_546
Sm1 Sb1 Sm1 69.874(19) 7_556 7_546
Sm2 O1 Sm1 107.68(18) . 7_556
Sm2 O1 Sm1 107.68(18) . 7_546
Sm1 O1 Sm1 118.1(3) 7_556 7_546
Sm2 O1 Sm1 113.1(3) . .
Sm1 O1 Sm1 105.19(18) 7_556 .
Sm1 O1 Sm1 105.19(18) 7_546 .
Sm3 O2 Sm3 117.1(3) 3_456 3_446
Sm3 O2 Sm2 118.85(18) 3_456 .
Sm3 O2 Sm2 118.85(18) 3_446 .
Sm3 O2 Sm3 96.9(2) 3_456 5_656
Sm3 O2 Sm3 96.9(2) 3_446 5_656
Sm2 O2 Sm3 99.1(3) . 5_656
Sm3 O3 Sm2 118.45(19) 5_756 3_545
Sm3 O3 Sm2 118.45(19) 5_756 3
Sm2 O3 Sm2 118.5(4) 3_545 3
Sm3 O3 Sm1 102.4(3) 5_756 5_656
Sm2 O3 Sm1 94.6(2) 3_545 5_656
Sm2 O3 Sm1 94.6(2) 3 5_656
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sm1 O1 2.303(4) 7_556
Sm1 O1 2.303(4) 7_546
Sm1 O1 2.315(7) .
Sm1 O3 2.682(8) 5_656
Sm1 Sb1 3.4224(9) 3_445
Sm1 Sb1 3.4224(9) 3_455
Sm1 Sb1 3.4488(8) 7_556
Sm1 Sb1 3.4488(8) 7_546
Sm1 Sm1 3.6684(10) 7_556
Sm1 Sm1 3.6684(10) 7_546
Sm1 Sm2 3.6691(7) 7_546
Sm1 Sm2 3.6691(7) 7_556
Sm2 O1 2.242(6) .
Sm2 O3 2.299(4) 3_455
Sm2 O3 2.299(4) 3_445
Sm2 O2 2.340(7) .
Sm2 Sb1 3.2933(9) 7_546
Sm2 Sb1 3.2933(9) 7_556
Sm2 Sm3 3.6642(9) 5_656
Sm2 Sm1 3.6691(7) 7_546
Sm2 Sm1 3.6691(7) 7_556
Sm2 Sm3 3.9084(9) 7_656
Sm2 Sm3 3.9084(9) 7_646
Sm3 O3 2.250(8) 5_756
Sm3 O2 2.315(4) 3_544
Sm3 O2 2.315(4) 3_554
Sm3 O2 2.474(8) 5_656
Sm3 Sb1 3.2348(8) 3
Sm3 Sb1 3.2348(8) 3_545
Sm3 Sm3 3.5855(10) 7_645
Sm3 Sm3 3.5855(10) 7_655
Sm3 Sm2 3.6642(9) 5_656
Sm3 Sm1 3.8528(12) 1_655
Sm3 Sm2 3.9084(9) 7_656
Sm3 Sm2 3.9084(9) 7_646
Sb1 Sm3 3.2348(8) 3_445
Sb1 Sm3 3.2348(8) 3_455
Sb1 Sm2 3.2933(9) 7_546
Sb1 Sm2 3.2933(9) 7_556
Sb1 Sm1 3.4224(9) 3
Sb1 Sm1 3.4224(9) 3_545
Sb1 Sm1 3.4488(8) 7_556
Sb1 Sm1 3.4488(8) 7_546
O1 Sm1 2.303(4) 7_556
O1 Sm1 2.303(4) 7_546
O2 Sm3 2.315(4) 3_456
O2 Sm3 2.315(4) 3_446
O2 Sm3 2.474(8) 5_656
O3 Sm3 2.250(8) 5_756
O3 Sm2 2.299(4) 3_545
O3 Sm2 2.299(4) 3
O3 Sm1 2.682(8) 5_656
