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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/02/1000261.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_1000261
loop_
_publ_author_name
'Lacorre, P'
'Pannetier, J'
'Averdunk, F'
'Hoppe, R'
'Ferey, G'
_publ_section_title
;
Crystal and Magnetic Structures of Li Co F₄: The First Compound with
a Dirutile Structure
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               11
_journal_paper_doi               10.1016/0022-4596(89)90243-0
_journal_volume                  79
_journal_year                    1989
_chemical_formula_structural     'Li Co F4'
_chemical_formula_sum            'Co F4 Li'
_chemical_name_systematic        'Lithium cobalt(III) fluoride'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.244(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.4296(8)
_cell_length_b                   4.6462(4)
_cell_length_c                   5.5371(4)
_cell_volume                     127.4
_refine_ls_R_factor_all          0.069
_cod_database_code               1000261
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_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(4) 0.7924(10) 0.6668(9) 1. 0 d
F2 F1- 4 e 0.3249(3) 0.6844(8) 0.6239(9) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Li1+ 1.000
Co3+ 3.000
F1- -1.000
