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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/03/1000370.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_1000370
loop_
_publ_author_name
'de Kozak, A'
'Mary, Y'
'Gredin, P'
'Renaudin, J'
'Ferey, G'
'Babel, D'
_publ_section_title
;
The crystal structure of the binuclear fluorocompound Cs3 Ga2 F9
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              115
_journal_page_last               122
_journal_volume                  31
_journal_year                    1994
_chemical_formula_structural     'Cs3 (Ga2 F9)'
_chemical_formula_sum            'Cs3 F9 Ga2'
_chemical_name_systematic        'Tricaesium nonafluorodigallate'
_space_group_IT_number           185
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      185
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   10.945(2)
_cell_length_b                   10.945(2)
_cell_length_c                   14.756(4)
_cell_volume                     1530.8
_refine_ls_R_factor_all          0.03
_cod_database_code               1000370
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
y,x,z
x-y,-y,z
-x,y-x,z
-x,-y,1/2+z
y,y-x,1/2+z
x-y,x,1/2+z
-y,-x,1/2+z
y-x,y,1/2+z
x,x-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Cs1 Cs1+ 6 c 0.6558(2) 0. 0. 1. 0 d
Cs2 Cs1+ 6 c 0.6625(4) 0. 0.3515(1) 1. 0 d
Cs3 Cs1+ 6 c 0.3205(2) 0. 0.1814(2) 1. 0 d
Ga1 Ga3+ 2 a 0. 0. 0.5993(4) 1. 0 d
Ga2 Ga3+ 2 a 0. 0. 0.4064(3) 1. 0 d
Ga3 Ga3+ 4 b 0.3333 0.6667 0.0828(3) 1. 0 d
Ga4 Ga3+ 4 b 0.3333 0.6667 0.2759(3) 1. 0 d
F1 F1- 6 c 0.1405(18) 0. 0.6505(10) 1. 0 d
F2 F1- 6 c 0.8745(24) 0. 0.5047(18) 1. 0 d
F3 F1- 6 c 0.1446(19) 0. 0.3517(11) 1. 0 d
F4 F1- 12 d 0.1911(18) 0.5220(19) 0.3325(8) 1. 0 d
F5 F1- 12 d 0.4619(10) 0.7987(11) 0.1803(8) 1. 0 d
F6 F1- 12 d 0.1819(14) 0.5131(13) 0.0246(8) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cs1+ 1.000
Ga3+ 3.000
F1- -1.000
