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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/73/2107323.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_2107323
loop_
_publ_author_name
'Tomas, A.'
'Chevalier, R.'
'Laruelle, P.'
'Bachet, B.'
_publ_section_title
;
 Structure cristalline de Cr Er2 S4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              3287
_journal_page_last               3289
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'Cr Er2 S4'
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P -2a -2ab'
_symmetry_space_group_name_H-M   'P b 21 a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.555
_cell_length_b                   12.481
_cell_length_c                   7.536
_cell_volume                     1180.883
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Tomas_ACBCAR_1976_773.cif
_cod_data_source_block           Cr1Er2S4
_cod_original_sg_symbol_Hall     'P 2c -2ac (-x,z,y)'
_cod_original_formula_sum        'Cr1 Er2 S4'
_cod_database_code               2107323
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x+1/2,y+1/2,z
x+1/2,y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Er4 Er+3 0.636 0.271 0.378 1 0.0
S8 S-2 0.727 0.495 0.353 1 0.0
Er2 Er+3 0.636 0.264 0.878 1 0.0
Er3 Er+3 0.389 0.076 0.375 1 0.0
S6 S-2 0.529 0.394 0.12 1 0.0
S2 S-2 0.512 0.386 0.619 1 0.0
Cr2 Cr+2 0.377 0.438 0.379 1 0.0
S5 S-2 0.526 0.132 0.119 1 0.0
S4 S-2 0.744 0.494 0.849 1 0.0
Er1 Er+3 0.373 0.437 0.887 1 0.0
S7 S-2 0.291 0.268 0.382 1 0.0
S1 S-2 0.549 0.129 0.613 1 0.0
S3 S-2 0.288 0.242 0.883 1 0.0
Cr1 Cr+2 0.391 0.07 0.858 1 0.0
