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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/72/1527258.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_1527258
loop_
_publ_author_name
'Crama, W.J.'
_publ_section_title
;
 The cooperative Jahn-Teller distorted structure of Rb Cu Cl3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              168
_journal_page_last               172
_journal_volume                  39
_journal_year                    1981
_chemical_formula_sum            'Cl3 Cu Rb'
_chemical_name_systematic        'Rb (Cu Cl3)'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2c'
_symmetry_space_group_name_H-M   'P c a n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.9286
_cell_length_b                   6.9705
_cell_length_c                   6.1638
_cell_volume                     512.510
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Crama_JSSCBI_1981_1504.cif
_cod_data_source_block           Cl3Cu1Rb1
_cod_original_cell_volume        512.5095
_cod_original_sg_symbol_Hall     '-P 2n 2ab (y,-x,z)'
_cod_original_formula_sum        'Cl3 Cu1 Rb1'
_cod_database_code               1527258
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,-z
x,-y,-z+1/2
-x,-y,-z
x-1/2,y-1/2,-z-1/2
x-1/2,-y-1/2,z
-x,y,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
Cl1 Cl-1 0.0831 0.2427 0.1972 1 0.0
Rb1 Rb+1 0.3313 0 0.25 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
Cl2 Cl-1 0.1509 0 0.75 1 0.0
