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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/63/2106302.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_2106302
loop_
_publ_author_name
'Dugue, J.'
'Vovan, T.'
'Villers, J.'
_publ_section_title
;
 Etude Structurale des Oxysulfures de Chrome(III) et de Terres Rares. I.
 Structure de l'Oxysulfure La Cr O S2
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1291
_journal_page_last               1294
_journal_volume                  36
_journal_year                    1980
_chemical_formula_sum            'Cr La O S2'
_chemical_name_systematic        'La Cr O S2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.193
_cell_length_b                   8.398
_cell_length_c                   3.704
_cell_volume                     348.172
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Dugue_ACBCAR_1980_983.cif
_cod_data_source_block           Cr1La1O1S2
_cod_original_cell_volume        348.1716
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Cr1 La1 O1 S2'
_cod_database_code               2106302
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-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_occupancy
_atom_site_U_iso_or_equiv
O1 O-2 0.5346 0.3848 0.25 1 0.0
S1 S-2 0.1018 0.4027 0.25 1 0.0
S2 S-2 0.8319 0.2594 0.25 1 0.0
Cr1 Cr+3 0.4725 0.169 0.25 1 0.0
La1 La+3 0.15002 0.04599 0.25 1 0.0
