#------------------------------------------------------------------------------
#$Date: 2015-07-13 05:58:17 +0200 (Mon, 13 Jul 2015) $
#$Revision: 149891 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/80/1528019.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_1528019
loop_
_publ_author_name
'Schils, H.'
'Bronger, W.'
_publ_section_title
;
 Ternaere Selenide des Kupfers
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              187
_journal_page_last               193
_journal_volume                  456
_journal_year                    1979
_chemical_formula_sum            'Cu8 Rb3 Se6'
_chemical_name_systematic        'Rb3 Cu8 Se6'
_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                 104.44
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   18.458
_cell_length_b                   4.01
_cell_length_c                   10.212
_cell_volume                     731.979
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Schils_ZAACAB_1979_836.cif
_cod_data_source_block           Cu8Rb3Se6
_cod_original_cell_volume        731.9793
_cod_database_code               1528019
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
Cu1 Cu+1 0.2969 0 0.0745 1 0.0
Cu3 Cu+1 0.5226 0 0.6462 1 0.0
Rb2 Rb+1 0.6872 0 0.3057 1 0.0
Se1 Se-2 0.8422 0 0.9799 1 0.0
Se3 Se-2 0.6561 0 0.6446 1 0.0
Se2 Se-2 0.0328 0 0.2944 1 0.0
Cu2 Cu+1 0.8871 0 0.217 1 0.0
Cu4 Cu+1 0.0811 0 0.5314 1 0.0
Rb1 Rb+1 0.5 0 0 1 0.0
