#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/15/1531551.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_1531551
loop_
_publ_author_name
'Huster, J.'
'Bronger, W.'
_publ_section_title
;
 Cs Cu5 S3 - eine neue Verbindung in zwei Modifikationen
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1395
_journal_page_last               1400
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'Cs Cu5 S3'
_space_group_IT_number           114
_symmetry_space_group_name_Hall  'P -4 2n'
_symmetry_space_group_name_H-M   'P -4 21 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.0574
_cell_length_b                   13.0574
_cell_length_c                   7.8935
_cell_volume                     1345.808
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Huster_ZAACAB_2001_10.cif
_cod_data_source_block           Cs1Cu5S3
_cod_original_formula_sum        'Cs1 Cu5 S3'
_cod_database_code               1531551
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x+1/2,-y+1/2,-z+1/2
-y+1/2,-x+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
y+1/2,x+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
Cu1 Cu+1 0.1174 0.0087 0.1042 1 0.0
Cs1 Cs+1 0.38931 0.11436 0.1257 1 0.0
S3 S-2 0.8948 0.1655 0.1251 1 0.0
Cu3 Cu+1 0.718 0.1473 0.1345 1 0.0
Cu5 Cu+1 0.102 0.2146 0.1808 1 0.0
S1 S-2 0.1197 0.3809 0.1192 1 0.0
Cu2 Cu+1 0.4774 0.4004 0.1367 1 0.0
Cu4 Cu+1 0.2805 0.3921 0.0396 1 0.0
S2 S-2 0.6581 0.41 0.1295 1 0.0
