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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/1/52/22/1522259.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_1522259
loop_
_publ_author_name
'Xu, Y.'
'Carlson, S.'
'Soederberg, K.'
'Norrestam, R.'
_publ_section_title
;
 High-pressure studies of Cs2 Cu Cl4 and Cs2 Co Cl4 by X-ray diffraction
 methods
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              212
_journal_page_last               217
_journal_volume                  153
_journal_year                    2000
_chemical_formula_sum            'Cl4 Cs2 Cu'
_chemical_name_systematic        'Cs2 (Cu Cl4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.356
_cell_length_b                   7.224
_cell_length_c                   11.898
_cell_volume                     804.159
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Xu_JSSCBI_2000_1960.cif
_cod_data_source_block           Cl4Cs2Cu1
_cod_original_cell_volume        804.1589
_cod_original_formula_sum        'Cl4 Cs2 Cu1'
_cod_database_code               1522259
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
Cs1 Cs+1 0.1316 0.25 0.1073 1 0.0
Cl1 Cl-1 0.3498 0.25 0.5819 1 0.0
Cl3 Cl-1 0.2998 -0.0174 0.3531 1 0.0
Cu1 Cu+2 0.23 0.25 0.4204 1 0.0
Cs2 Cs+1 -0.0046 0.75 0.333 1 0.0
Cl2 Cl-1 -0.0039 0.25 0.381 1 0.0
