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#$Date: 2015-09-12 17:18:21 +0300 (Sat, 12 Sep 2015) $
#$Revision: 155906 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/07/1530709.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_1530709
loop_
_publ_author_name
'Savborg, O.'
_publ_section_title
;
 Structures of Niobium and Tantalum Oxide Fluorides Containing Lone-Pair
 Ions IV.Pb12 Ta9 O20 F29: A "Block" Structure Related to the Aurivillius
 Phases
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              154
_journal_page_last               159
_journal_volume                  57
_journal_year                    1985
_chemical_formula_sum            'F29 O20 Pb12 Ta9'
_chemical_name_systematic        'Pb12 Ta9 O20 F29'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   22.8951
_cell_length_b                   22.8951
_cell_length_c                   3.9202
_cell_volume                     2054.912
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Savborg_JSSCBI_1985_1199.cif
_cod_data_source_block           F29O20Pb12Ta9
_cod_database_code               1530709
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+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
F6 F-1 0.146 0.331 0 1 0.0
O1 O-2 0.049 0.069 0 1 0.0
O5 O-2 0.527 0.257 0 1 0.0
Ta2 Ta+5 0.2329 0.029 0 1 0.0
F5 F-1 0.285 0.226 0 1 0.0
F1 F-1 0.5 0.5 0 1 0.0
O2 O-2 0.172 0.086 0 1 0.0
Pb2 Pb+2 0.2554 0.328 0 1 0.0
O4 O-2 0.393 0.358 0 1 0.0
Pb1 Pb+2 0.3951 0.2111 0 1 0.0
Ta3 Ta+5 0.1011 0.1306 0 1 0.0
Pb3 Pb+2 0.1018 0.4529 0 1 0.0
F8 F-1 0.423 0.112 0 1 0.0
Ta1 Ta+5 0 0 0 1 0.0
F7 F-1 0.564 0.004 0 1 0.0
F2 F-1 0.156 0.2 0 1 0.0
O3 O-2 0.044 0.197 0 1 0.0
F3 F-1 0.018 0.31 0 1 0.0
F4 F-1 0.289 0.1 0 1 0.0
