#------------------------------------------------------------------------------
#$Date: 2022-09-28 16:56:03 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278244 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/07/2000733.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000733
loop_
_publ_author_name
'Carpenter, J. D.'
'Hwu, S.-J.'
_publ_section_title
;
 Single-crystal structure of BaSm₂S₄
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1164
_journal_page_last               1167
_journal_paper_doi               10.1107/S010827019101418X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Ba S4 Sm2'
_chemical_formula_weight         566.28
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.262(3)
_cell_length_b                   4.121(3)
_cell_length_c                   14.713(2)
_cell_volume                     743.5(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    21.874
_exptl_crystal_density_diffrn    5.06
_exptl_crystal_F_000             976
_cod_data_source_file            st0546.cif
_cod_data_source_block           st0546a
_cod_original_formula_sum        'Ba1 S4 Sm2'
_cod_database_code               2000733
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,-y,z+1/2
3 x+1/2,-y+1/2,-z+1/2
4 -x,y+1/2,-z
5 -x,-y,-z
6 x+1/2,y,-z+1/2
7 -x+1/2,y+1/2,z+1/2
8 x,-y+1/2,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba .24530(10) .25 .16003(8)
Sm(1) .07615(8) .25 .89633(7)
Sm(2) .07412(8) .25 .39231(7)
S(1) .3693(4) .25 .5229(3)
S(2) .4826(4) .25 .2824(3)
S(3) .0785(4) .25 .5798(3)
S(4) .2901(4) .25 .8271(4)
