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#$Date: 2015-07-11 23:53:21 +0300 (Sat, 11 Jul 2015) $
#$Revision: 146393 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/54/1525434.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_1525434
loop_
_publ_author_name
'Vlasse, M.'
'Boukhari, A.'
'Chaminade, J.P.'
'Pouchard, M.'
_publ_section_title
;
 Crystal structure of potassium tantalum oxyfluoride K6 Ta6.5 O14.5 F9.5
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              101
_journal_page_last               108
_journal_volume                  14
_journal_year                    1979
_chemical_formula_sum            'F9.5 K6 O14.5 Ta6.5'
_chemical_name_systematic        'K6 Ta6.5 O14.5 F9.5'
_space_group_IT_number           174
_symmetry_space_group_name_Hall  'P -6'
_symmetry_space_group_name_H-M   'P -6'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   13.109
_cell_length_b                   13.109
_cell_length_c                   3.88
_cell_volume                     577.433
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Vlasse_MRBUAC_1979_213.cif
_cod_data_source_block           F9.5K6O14.5Ta6.5
_cod_original_cell_volume        577.4329
_cod_database_code               1525434
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-z
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
O4 O-2 0.4037 0.4215 0.5 0.604 0.0
O6 O-2 0.3252 0.5024 0 0.604 0.0
O1 O-2 0.1349 0.1037 0.5 0.604 0.0
O9 O-2 0.531 0.283 0 0.302 0.0
K1 K+1 0.3144 0.2461 0 1 0.0
F9 F-1 0.531 0.283 0 0.198 0.0
Ta3 Ta+5 0.6667 0.3333 0.371 0.25 0.0
O7 O-2 0.0349 0.2026 0 0.604 0.0
F1 F-1 0.1349 0.1037 0.5 0.396 0.0
F2 F-1 0.1638 0.3352 0.5 0.396 0.0
Ta1 Ta+5 0.04 0.1797 0.5 1 0.0
F4 F-1 0.4037 0.4215 0.5 0.396 0.0
K2 K+1 -0.014 0.4183 0 1 0.0
F7 F-1 0.0349 0.2026 0 0.396 0.0
O2 O-2 0.1638 0.3352 0.5 0.604 0.0
O5 O-2 0.204 0.5511 0.5 0.604 0.0
O3 O-2 0.3156 0.0693 0.5 0.604 0.0
F3 F-1 0.3156 0.0693 0.5 0.396 0.0
Ta2 Ta+5 0.2985 0.4918 0.5 1 0.0
O8 O-2 0.551 0.349 0 0.302 0.0
F8 F-1 0.551 0.349 0 0.198 0.0
F6 F-1 0.3252 0.5024 0 0.396 0.0
F5 F-1 0.204 0.5511 0.5 0.396 0.0
