Samarium Tantalum Oxysulfide, Sm~2~Ta~3~S~2~O~8~
Guo, G.; Wang, Y.; Chen, J.; Zhuang, H.; Huang, J.; Zhang, Q.; Acta Crystallographica Section C 51 (1995) 1964–1966; doi:10.1107/S0108270195005026

data_2004052
_publ_section_title
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 Samarium Tantalum Oxysulfide, Sm~2~Ta~3~S~2~O~8~
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_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1964
_journal_page_last               1966
_journal_paper_doi               10.1107/S0108270195005026
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'see text'
_chemical_formula_sum            'O8 S2 Sm2 Ta3'
_chemical_formula_weight         1035.76
_space_group_IT_number           55
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_atom_type_scat_source           'Cromer & Waber (1974)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.845(2)
_cell_length_b                   11.513(4)
_cell_length_c                   3.775(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      25
_cell_measurement_theta_min      10
_cell_volume                     427.9(2)
_diffrn_measurement_device       'Rigaku AFC-5R'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1580
_diffrn_reflns_theta_max         40
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 250
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    51.84
_exptl_absorpt_correction_T_max  0.996
_exptl_absorpt_correction_T_min  0.755
_exptl_absorpt_correction_type   'empirical (\y scans)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    8.04
_exptl_crystal_description       rectangular
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.07
_refine_diff_density_max         4.54
_refine_diff_density_min         -5.78
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.33
_refine_ls_number_parameters     36
_refine_ls_number_reflns         786
_refine_ls_R_factor_obs          0.058
_refine_ls_shift/esd_max         0.02
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.076
_reflns_number_observed          786
_reflns_number_total             1580
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            oh1081.cif
_cod_data_source_block           oh1081a
_cod_depositor_comments
;
 Correcting the _atom_site_Wyckoff_symbol data item values by recording the
 incorrectly placed site symmetry multiplicity values using a
 separate _atom_site_site_symmetry_multiplicity data item.

 Antanas Vaitkus,
 2018-07-02
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_cod_database_code               2004052