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#$Date: 2015-09-05 14:30:47 +0300 (Sat, 05 Sep 2015) $
#$Revision: 154417 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/97/1529789.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_1529789
loop_
_publ_author_name
'Dance, J.M.'
'Mur, J.'
'Darriet, J.'
'Babel, D.'
'Massa, W.'
'Hagenmuller, P.'
'Kummer, S.'
_publ_section_title
;
 Magnetic properties of the dimeric iron(III) fluoride Cs3 Fe2 F9
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              446
_journal_page_last               451
_journal_volume                  63
_journal_year                    1986
_chemical_formula_sum            'Cs3 F9 Fe2'
_chemical_name_systematic        'Cs3 Fe2 F9'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   6.347
_cell_length_b                   6.347
_cell_length_c                   14.805
_cell_volume                     516.507
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Dance_JSSCBI_1986_1251.cif
_cod_data_source_block           Cs3F9Fe2
_cod_original_cell_volume        516.5068
_cod_database_code               1529789
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,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
F1 F-1 0.1312 0.2624 0.25 1 0.0
Cs1 Cs+1 0.3333 0.6667 0.75 1 0.0
Fe1 Fe+3 0 0 0.15153 1 0.0
Cs2 Cs+1 0.3333 0.6667 0.43271 1 0.0
F2 F-1 0.1494 0.2988 0.594 1 0.0
