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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008268.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_1008268
_chemical_name_systematic          'Tetracaesium trinickel cadmium fluoride'
_chemical_formula_structural       'Cs4 Ni3 Cd F12'
_chemical_formula_sum              'Cd Cs4 F12 Ni3'
_publ_section_title
;
Cationic substitutions in fluorides of hexagonal Perovskite type. III.
The Cs Ni~1-x~ Cd~x~ F3 system. Crystal chemistry and trimeric magnetic
interactions in Cs Ni~.75~ Cd~.25~ F~3~
;
loop_
_publ_author_name
  'Dance, J M'
  'Kerkouri, N'
  'Soubeyroux, J L'
  'Darriet, J'
  'Tressaud, A'
_journal_name_full                 'Materials Letters'
_journal_coden_ASTM                MLETDJ
_journal_volume                    1
_journal_year                      1982
_journal_page_first                49
_journal_page_last                 52
_cell_length_a                     6.21(8)
_cell_length_b                     6.21(8)
_cell_length_c                     30.0(7)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       1001.9
_cell_formula_units_Z              3
_symmetry_space_group_name_H-M     'R -3 m H'
_symmetry_Int_Tables_number        166
_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'
  '1/3+x,2/3+y,2/3+z'
  '2/3+x,1/3+y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  '2/3-y,1/3-x,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x,2/3-y,2/3-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  '2/3+x-y,1/3-y,1/3-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cd2+   2.000
  Ni2+   2.000
  Cs1+   1.000
  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
  Cd1   Cd2+   3 a 0. 0. 0. 1.  0 d
  Ni1   Ni2+   3 b 0. 0. 0.5 1.  0 d
  Ni2   Ni2+   6 c 0. 0. 0.4090(8) 1.  0 d
  Cs1   Cs1+   6 c 0. 0. 0.1313(11) 1.  0 d
  Cs2   Cs1+   6 c 0. 0. 0.2824(11) 1.  0 d
  F1    F1-   18 h 0.1435(12) -0.1435(12) 0.4561(5) 1.  0 d
  F2    F1-   18 h 0.1627(12) -0.1627(12) 0.6262(6) 1.  0 d
_refine_ls_R_factor_all            0.068