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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/1/1000260.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_1000260
_chemical_name_systematic          'Lithium cobalt(III) fluoride'
_chemical_formula_structural       'Li Co F4'
_chemical_formula_sum              'Co F4 Li'
_publ_section_title
;
Crystal and Magnetic Structures of Li Co F~4~: The First Compound with
a Dirutile Structure
;
loop_
_publ_author_name
  'Lacorre, P'
  'Pannetier, J'
  'Averdunk, F'
  'Hoppe, R'
  'Ferey, G'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    79
_journal_year                      1989
_journal_page_first                1
_journal_page_last                 11
_cell_length_a                     5.4354(7)
_cell_length_b                     4.6527(6)
_cell_length_c                     5.5392(7)
_cell_angle_alpha                  90
_cell_angle_beta                   114.117(8)
_cell_angle_gamma                  90
_cell_volume                       127.9
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 1 21/c 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Li1+   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
  Li1   Li1+   2 b 0.5 0.5 0. 1.  0 d
  Co1   Co3+   2 a 0. 0. 0. 1.  0 d
  F1    F1-    4 e 0.8532(9) 0.7948(12) 0.6684(9) 1.  0 d
  F2    F1-    4 e 0.3246(9) 0.6853(10) 0.6213(11) 1.  0 d
_refine_ls_R_factor_all            0.0732