#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/74/1537443.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1537443
loop_
_publ_author_name
'Huster, J.'
_publ_section_title
;
 Darstellung und Kristallstruktur der Alkalithiochromate(III) A Cr5 S8 (A=
 Cs, Rb und K)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              89
_journal_page_last               96
_journal_volume                  447
_journal_year                    1978
_chemical_formula_sum            'Cr5 Cs S8'
_chemical_name_systematic        'Cs (Cr5 S8)'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.62
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.915
_cell_length_b                   3.464
_cell_length_c                   8.732
_cell_volume                     524.341
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Huster_ZAACAB_1978_884.cif
_cod_data_source_block           Cr5Cs1S8
_cod_original_formula_sum        'Cr5 Cs1 S8'
_cod_database_code               1537443
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-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
S4 S-2 0.2406 0 0.1591 1 0.0
Cr1 Cr+3 0 0 0 1 0.0
Cr3 Cr+3 0.2947 0 0.6644 1 0.0
S1 S-2 0.5749 0 0.1559 1 0.0
Cr2 Cr+3 0.3408 0 0.0161 1 0.0
Cs1 Cs+1 0 0.5 0.5 1 0.0
S3 S-2 0.1712 0 0.4889 1 0.0
S2 S-2 0.0885 0 0.834 1 0.0
