#------------------------------------------------------------------------------
#$Date: 2010-03-31 16:32:11 +0300 (Wed, 31 Mar 2010) $
#$Revision: 1063 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1000462.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_1000462
_chemical_name_systematic          'Tetracaesium cobalt tetrachromium fluoride'
_chemical_formula_structural       'Cs4 Co Cr4 F18.24'
_chemical_formula_sum              'Co Cr4 Cs4 F18.24'
_publ_section_title
;
Structures of cesium containing fluorides, VI:The pyrochlore-related
layer structures of Cs4 Co Cr4 F18 and Cs4 Cr5 F18+x
;
loop_
_publ_author_name
  'Courbion, G'
  'de Pape, R'
  'Knoke, G'
  'Babel, D'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    49
_journal_year                      1983
_journal_page_first                353
_journal_page_last                 361
_cell_length_a                     7.203
_cell_length_b                     7.203
_cell_length_c                     10.761
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       483.5
_cell_formula_units_Z              1
_exptl_crystal_density_meas        3.87
_symmetry_space_group_name_H-M     'P -3 m 1'
_symmetry_Int_Tables_number        164
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'x,x-y,z'
  'y-x,y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,-z'
  '-x,y-x,-z'
  'x-y,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cs1+   1.000
  Cr3+   3.000
  Co2+   2.000
  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+   2 c 0. 0. 0.22510(11) 1.  0 d
  Cs2   Cs1+   2 d 0.3333 0.6667 0.37383(8) 1.  0 d
  Cr1   Cr3+   2 d 0.3333 0.6667 0.71764(13) 1.  0 d
  Cr2   Cr3+   3 e 0.5 0. 0. 0.667  0 d
  Co1   Co2+   3 e 0.5 0. 0. 0.333  0 d
  F1    F1-    6 i 0.20494(27) -0.20494(27) 0.03863(33) 1.  0 d
  F2    F1-    6 i 0.54091(25) -0.54091(25) 0.17336(31) 1.  0 d
  F3    F1-    6 i 0.79331(30) -0.79331(30) 0.37813(35) 1.  0 d
  F4    F1-    1 b 0. 0. 0.5 0.24  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Cs1   0.0415(3) 0.0208(2) 0. 0.0415(3) 0. 0.0741(7)
  Cs2   0.0690(4) 0.0345(2) 0. 0.0690(4) 0. 0.0256(4)
  Cr1   0.0157(4) 0.0078(2) 0. 0.0157(4) 0. 0.0114(6)
  Cr2   0.0104(3) 0.0037(2) -0.0021(8) 0.0075(4) -0.0010(4) 0.0167(5)
  Co1   0.0104(3) 0.0037(2) -0.0021(8) 0.0075(4) -0.0010(4) 0.0167(5)
  F1    0.0185(10) 0.0048(12) 0.0043(8) 0.0185(10) -0.0043(8) 0.0332(17)
  F2    0.0337(13) 0.0272(15) -0.0009(7) 0.0337(13) 0.0009(7) 0.0221(15)
  F3    0.0466(15) 0.0329(17) 0.0005(8) 0.0466(15) -0.0005(8) 0.0303(18)
_refine_ls_R_factor_all            0.041
_cod_database_code 1000462