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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/7/22/19/7221990.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_7221990
loop_
_publ_author_name
'Buscher, R.'
'Lehmann, G.'
'Henkel, G.'
'Krebs, B.'
_publ_section_title
;
 Correlation of zero field splittings and site distortions. VII. (Fe
 Cl4)(-) in Cs Ga Cl4 with crystal structure refinement
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik
;
_journal_page_first              1204
_journal_page_last               1207
_journal_volume                  39
_journal_year                    1984
_chemical_formula_sum            'Cl4 Cs Ga'
_chemical_name_systematic        'Cs Ga 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                   11.61
_cell_length_b                   7.064
_cell_length_c                   9.339
_cell_volume                     765.920
_citation_journal_id_ASTM        ZTAKDZ
_cod_data_source_file            Buscher_ZTAKDZ_1984_1088.cif
_cod_data_source_block           Cl4Cs1Ga1
_cod_original_cell_volume        765.9197
_cod_original_formula_sum        'Cl4 Cs1 Ga1'
_cod_database_code               7221990
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
Cl3 Cl-1 0.0841 0.0026 0.8305 1 0.0
Cl1 Cl-1 -0.0936 0.25 0.5863 1 0.0
Cs1 Cs+1 0.18019 0.25 0.16611 1 0.0
Ga1 Ga+3 0.07129 0.25 0.69293 1 0.0
Cl2 Cl-1 0.2164 0.25 0.5492 1 0.0
