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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/28/7222802.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_7222802
loop_
_publ_author_name
'Fleischer, T.'
'Hoppe, R.'
_publ_section_title
;
 Zur Rutilverwandschaft: Ueber neue Fluoride des Typs Li M(II) M(III) F6
 mit M(III) = Co,Ni und M(II) = Mg, Ca, Sr, Ba, Ni, Cu, Zn, Cd
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              988
_journal_page_last               994
_journal_volume                  37
_journal_year                    1982
_chemical_formula_sum            'Ba Co F6 Li'
_chemical_name_systematic        'Li Ba (Co F6)'
_space_group_IT_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                 90.99
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5056
_cell_length_b                   10.263
_cell_length_c                   8.4379
_cell_volume                     476.704
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Fleischer_ZNBAD2_1982_149.cif
_cod_data_source_block           Ba1Co1F6Li1
_cod_original_cell_volume        476.7036
_cod_original_formula_sum        'Ba1 Co1 F6 Li1'
_cod_database_code               7222802
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ba1 Ba+2 0.30094 0.18774 0.00245 1 0.0
F5 F-1 0.1054 0.0816 0.29245 1 0.0
F6 F-1 0.0757 0.3423 0.19327 1 0.0
F4 F-1 0.6581 0.3985 0.02283 1 0.0
F1 F-1 0.46122 0.49334 0.29665 1 0.0
F3 F-1 0.8375 0.40878 0.44615 1 0.0
Li1 Li+1 0.2434 0.5892 0.1807 1 0.0
Co1 Co+3 0.76083 0.41204 0.23047 1 0.0
F2 F-1 0.6038 0.24575 0.25625 1 0.0
