#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/85/1538539.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_1538539
loop_
_publ_author_name
'Ruedorff, W.'
'Schwarz, H.G.'
'Walter, M.'
_publ_section_title
;
 Strukturuntersuchungen an Alkalithiocupraten
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              141
_journal_page_last               152
_journal_volume                  269
_journal_year                    1952
_chemical_formula_sum            'Cu4 Rb S3'
_chemical_name_systematic        'Rb Cu4 S3'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.928
_cell_length_b                   3.928
_cell_length_c                   9.43
_cell_volume                     145.497
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Ruedorff_ZAACAB_1952_925.cif
_cod_data_source_block           Cu4Rb1S3
_cod_original_cell_volume        145.4972
_cod_original_formula_sum        'Cu4 Rb1 S3'
_cod_database_code               1538539
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,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
S2 S-2 0.5 0.5 0.292 1 0.0
Rb1 Rb+1 0 0 0.5 1 0.0
S1 S-2 0 0 0 1 0.0
Cu1 Cu+1 0 0.5 0.158 0.75 0.0
Cu2 Cu+2 0 0.5 0.158 0.25 0.0
