#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/96/1539624.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_1539624
loop_
_publ_author_name
'Bailleul, S.'
'Svoronos, D.'
'Tomas, A.'
'Porcher, P.'
_publ_section_title
;
 Precisions sur la structure de Cs2 Cu Cl4
;
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 
(1984-1993)
;
_journal_page_first              1149
_journal_page_last               1153
_journal_volume                  313
_journal_year                    1991
_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                   9.769
_cell_length_b                   7.607
_cell_length_c                   12.381
_cell_volume                     920.067
_citation_journal_id_ASTM        CRAMED
_cod_data_source_file            Bailleul_CRAMED_1991_1502.cif
_cod_data_source_block           Cl4Cs2Cu1
_cod_original_cell_volume        920.0665
_cod_original_formula_sum        'Cl4 Cs2 Cu1'
_cod_database_code               1539624
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
Cl2 Cl-1 0.005 0.25 0.382 1 0.0
Cs2 Cs+1 -0.0567 0.75 0.3252 1 0.0
Cs1 Cs+1 0.134 0.25 0.1031 1 0.0
Cl1 Cl-1 0.3433 0.25 0.5739 1 0.0
Cl3 Cl-1 0.2936 -0.0119 0.355 1 0.0
Cu1 Cu+2 0.2302 0.25 0.4182 1 0.0
