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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/2/10/61/2106187.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_2106187
loop_
_publ_author_name
'Diehl, R.'
'Carpentier, C.D.'
_publ_section_title
;
 The crystal structure of chromium thiophosphate, Cr P S4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1399
_journal_page_last               1404
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Cr P S4'
_chemical_name_systematic        'Cr (P S4)'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.88
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.871
_cell_length_b                   7.254
_cell_length_c                   6.14
_cell_volume                     483.929
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Diehl_ACBCAR_1977_1575.cif
_cod_data_source_block           Cr1P1S4
_cod_original_formula_sum        'Cr1 P1 S4'
_cod_database_code               2106187
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
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
Cr2 Cr+3 0 0.5095 0 1 0.0
S4 S-2 0.1303 0.7575 0.1452 1 0.0
S3 S-2 0.1062 0.2594 0.1934 1 0.0
S2 S-2 0.1347 0.5248 0.6993 1 0.0
Cr1 Cr+3 0 0 0 1 0.0
P1 P+5 0.2971 0.2588 0.1655 1 0.0
S1 S-2 0.1335 -0.0084 0.7007 1 0.0
