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#$Date: 2018-09-27 05:13:35 +0100 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/41/8104112.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_8104112
loop_
_publ_author_name
'Dorhout, P.K.'
'Raymond, C.C.'
'Miller, S.M.'
_publ_section_title
;
 Crystal structure of cesium copper(I) tetrasulfide, Cs Cu S4
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              776
_journal_page_last               776
_journal_volume                  210
_journal_year                    1995
_chemical_formula_sum            'Cs Cu S4'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.25
_cell_length_b                   8.709
_cell_length_c                   13.45
_cell_volume                     614.964
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Dorhout_ZEKRDZ_1995_1836.cif
_cod_data_source_block           Cs1Cu1S4
_cod_original_cell_volume        614.9642
_cod_original_formula_sum        'Cs1 Cu1 S4'
_cod_database_code               8104112
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-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
S2 S 0.18668 0.60076 0.90329 1 0.0
Cs1 Cs+1 0.16012 0.42669 0.66449 1 0.0
S1 S 0.35562 0.8604 0.65335 1 0.0
S4 S 0.43161 0.06478 0.5774 1 0.0
S3 S 0.38226 0.20445 0.90462 1 0.0
Cu1 Cu+1 0.03972 0.35822 0.93991 1 0.0