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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/1/53/07/1530708.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_1530708
loop_
_publ_author_name
'Savborg, O.'
_publ_section_title
;
 Structures of niobium and tantalum oxide fluorides containing lone-pair
 ions. V. Pbx M (O, F)3+x/2 (x= ca. 0.25, M= Nb, Ta): A disordered
 superstructure of the hexagonal tungsten bronze type
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              160
_journal_page_last               165
_journal_volume                  57
_journal_year                    1985
_chemical_formula_sum            'F1.56 O1.56 Pb0.24 Ta'
_chemical_name_systematic        'Pb0.24 Ta (O F)1.56'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.548
_cell_length_b                   7.548
_cell_length_c                   3.941
_cell_volume                     194.447
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Savborg_JSSCBI_1985_1198.cif
_cod_data_source_block           F1.56O1.56Pb0.24Ta1
_cod_original_cell_volume        194.4468
_cod_original_formula_sum        'F1.56 O1.56 Pb0.24 Ta1'
_cod_database_code               1530708
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
-y,-x,-z
x-y,-y,-z
x,x-y,-z
y,x,-z
-x+y,y,-z
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z
y,-x+y,-z
x,y,-z
x-y,x,-z
-y,x-y,-z
y,x,z
-x+y,y,z
-x,-x+y,z
-y,-x,z
x-y,-y,z
x,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
F1 F-1 0.2108 0.4216 0 0.5 0.0
O2 O-2 0.5 0 0.5 0.5 0.0
F2 F-1 0.5 0 0.5 0.5 0.0
O3 O-2 0 0 0.5 0.18 0.0
F3 F-1 0 0 0.5 0.18 0.0
Ta1 Ta+4 0.5 0 0 1 0.0
Pb1 Pb+2 0.0193 0.0386 0.0734 0.059 0.0
O1 O-2 0.2108 0.4216 0 0.5 0.0
