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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1000490.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_1000490
_chemical_name_systematic          'Caesium tetrafluorocobaltate'
_chemical_formula_structural       'Cs (Co F4)'
_chemical_formula_sum              'Co Cs F4'
_publ_section_title
;
Ordered magnetic frustration: XVI.Magnetic structure of Cs Co F4 at 1.5
K
;
loop_
_publ_author_name
  'Lacorre, P'
  'Pannetier, J'
  'Fleischer, T'
  'Hoppe, R'
  'Ferey, G'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    93
_journal_year                      1991
_journal_page_first                37
_journal_page_last                 45
_cell_length_a                     12.4476(6)
_cell_length_b                     12.4476(6)
_cell_length_c                     12.9277(7)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       2003.1
_cell_formula_units_Z              20
_symmetry_space_group_name_H-M     'I -4 c 2'
_symmetry_Int_Tables_number        120
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,1/2+z'
  'x,-y,1/2+z'
  '-y,x,-z'
  'y,-x,-z'
  '-y,-x,1/2-z'
  'y,x,1/2-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,z'
  '1/2-y,1/2+x,1/2-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2-x,-z'
  '1/2+y,1/2+x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cs1+   1.000
  Co3+   3.000
  F1-   -1.000
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+   4 a 0. 0. 0.25 1.  0 d
  Cs2   Cs1+  16 i 0.3499(7) 0.8282(7) 0.6816(5) 1.  0 d
  Co1   Co3+   4 d 0.5 0. 0. 1.  0 d
  Co2   Co3+  16 i 0.7918(12) 0.0725(11) 0.9833(10) 1.  0 d
  F1    F1-   16 i 0.3421(7) 0.9999(5) 0.9947(9) 1.  0 d
  F2    F1-   16 i 0.1397(5) 0.0661(6) 0.9843(7) 1.  0 d
  F3    F1-   16 i 0.0755(11) 0.2072(12) 0.1409(7) 1.  0 d
  F4    F1-   16 i 0.9193(11) 0.7909(12) 0.8616(7) 1.  0 d
  F5    F1-    8 h 0.2196(5) 0.7196(5) 0.5 1.  0 d
  F6    F1-    8 g 0. 0.5 0.1419(8) 1.  0 d
_refine_ls_R_factor_all            0.114
_cod_database_code 1000490