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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/54/1525433.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_1525433
loop_
_publ_author_name
'Vlasse, M.'
'Chaminade, J.P.'
'Pouchard, M.'
_publ_section_title
;
 The crystal structure of lithium tantalum oxyfluoride Li Ta O2 F2
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              117
_journal_page_last               126
_journal_volume                  8
_journal_year                    1973
_chemical_formula_sum            'F2 Li O2 Ta'
_chemical_name_systematic        'Li Ta O2 F2'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            5
_cell_length_a                   3.903
_cell_length_b                   3.903
_cell_length_c                   25.38
_cell_volume                     386.624
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Vlasse_MRBUAC_1973_1332.cif
_cod_data_source_block           F2Li1O2Ta1
_cod_original_cell_volume        386.6239
_cod_original_formula_sum        'F2 Li1 O2 Ta1'
_cod_database_code               1525433
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+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
Li1 Li+1 0 0 0.149 0.25 0.0
O3 O-2 0 0 0.2323 0.5 0.0
Li2 Li+1 0 0 0.318 1 0.0
F4 F-1 0 0.5 0.1578 0.5 0.0
F2 F-1 0 0 0.0765 0.5 0.0
O1 O-2 0 0.5 0 0.5 0.0
Ta1 Ta+5 0 0 0 1 0.0
F1 F-1 0 0.5 0 0.5 0.0
F3 F-1 0 0 0.2323 0.5 0.0
O2 O-2 0 0 0.0765 0.5 0.0
Ta2 Ta+5 0 0 0.149 0.75 0.0
O4 O-2 0 0.5 0.1578 0.5 0.0
