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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008789.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_1008789
_chemical_name_systematic
;
Rubidium caesium cobalt fluoride (0.5/0.5/1/3) - LT
;
_chemical_name_mineral             'Perovskite group'
_chemical_compound_source          'synthetic'
_chemical_formula_structural       'Rb.5 Cs.5 Co F3'
_chemical_formula_sum              'Co Cs.5 F3 Rb.5'
_publ_section_title
;
Chimie de solide - structure magnetique de la phase Rb0.5 Cs0.5 Co F3
de type perovskite hexagonale 6H
;
loop_
_publ_author_name
  'Dance, J M'
  'Soubeyroux, J L'
  'Kerkouri, N'
  'Tressaud, A'
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie C, Sciences Chimiques (1966-)
;
_journal_coden_ASTM                CHDCAQ
_journal_volume                    293
_journal_year                      1981
_journal_page_first                279
_journal_page_last                 293
_cell_length_a                     5.984(2)
_cell_length_b                     5.984(2)
_cell_length_c                     14.559(8)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       451.5
_cell_formula_units_Z              6
_symmetry_space_group_name_H-M     'P 63/m m c'
_symmetry_Int_Tables_number        194
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'y-x,y,z'
  'x,x-y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,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'
  'x-y,-y,1/2+z'
  '-x,y-x,1/2+z'
  'x,y,1/2-z'
  '-y,x-y,1/2-z'
  'y-x,-x,1/2-z'
  '-y,-x,1/2-z'
  'y-x,y,1/2-z'
  'x,x-y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Rb1+   1.000
  Cs1+   1.000
  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
  Rb1   Rb1+   2 b 0. 0. 0.25 0.5  0 d
  Cs1   Cs1+   2 b 0. 0. 0.25 0.5  0 d
  Rb2   Rb1+   4 f 0.3333 0.6667 0.0891(5) 0.5  0 d
  Cs2   Cs1+   4 f 0.3333 0.6667 0.0891(5) 0.5  0 d
  Co1   Co2+   2 a 0. 0. 0. 1.  0 d
  Co2   Co2+   4 f 0.3333 0.6667 0.8551(10) 1.  0 d
  F1    F1-    6 h 0.5144 0.0288 0.25 1.  0 d
  F2    F1-   12 k 0.8362 0.6724 0.0765 1.  0 d
_refine_ls_R_factor_all            0.038