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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/07/1530710.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_1530710
loop_
_publ_author_name
'Savborg, O.'
_publ_section_title
;
 Structures of Niobium and Tantalum Oxide Fluorides Containing Lone
 Pair-Ions III.Pb3 Ta5 O9 F13: A Layer Structure Comprising Unidimensional
 Infinite Pb X (X = O or F) Elements
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              148
_journal_page_last               153
_journal_volume                  57
_journal_year                    1985
_chemical_formula_sum            'F13 O9 Pb3 Ta5'
_chemical_name_systematic        'Pb3 Ta5 O9 F13'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-A 2 2a'
_symmetry_space_group_name_H-M   'A m a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.48
_cell_length_b                   20.83
_cell_length_c                   3.928
_cell_volume                     1839.319
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Savborg_JSSCBI_1985_1200.cif
_cod_data_source_block           F13O9Pb3Ta5
_cod_original_sg_symbol_Hall     '-C 2c 2 (z,y,-x)'
_cod_database_code               1530710
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y,-z
-x,-y,z
-x+1/2,y,-z
-x,-y,-z
-x-1/2,y,z
x,y,-z
x-1/2,-y,z
x,y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,-y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y+1/2,-z+1/2
-x-1/2,y+1/2,z+1/2
x,y+1/2,-z+1/2
x-1/2,-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
Pb2 Pb+2 0.25 0.3713 0 1 0.0
Ta1 Ta+5 0.1194 -0.009 0 1 0.0
F7 F-1 0.25 0.608 0 0.33 0.0
O5 O-2 0.128 0.48 0 0.67 0.0
F4 F-1 -0.179 0.08 0 1 0.0
O3 O-2 0.188 0.048 0 1 0.0
F5 F-1 0.016 0.636 0 0.33 0.0
Pb1 Pb+2 0.6419 0.254 0 1 0.0
O6 O-2 0.25 0.608 0 0.67 0.0
O1 O-2 0.066 0.059 0 1 0.0
F1 F-1 0.073 0.195 0 1 0.0
F6 F-1 0.128 0.48 0 0.33 0.0
Ta3 Ta+5 0.25 0.1057 0 1 0.0
F3 F-1 0.307 0.177 0 1 0.0
F8 F-1 0.158 0.307 0 1 0.0
O2 O-2 -0.058 0.072 0 1 0.0
Ta2 Ta+5 0.0087 0.1276 0 1 0.0
O4 O-2 0.016 0.636 0 0.67 0.0
F9 F-1 0.25 0.799 0 1 0.0
F2 F-1 -0.045 0.199 0 1 0.0
