#------------------------------------------------------------------------------
#$Date: 2015-09-12 16:18:48 +0200 (Sat 12 de Sep de 2015) $
#$Revision: 155909 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/07/1530712.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_1530712
loop_
_publ_author_name
'Savborg, O.'
'Lundberg, M.'
_publ_section_title
;
 Structures of Niobium and Tantalum Oxide Fluorides Containing Lone-Pair
 Ions I.Pb3 M4 O12 F2 (M=Nb Or Ta): A Structure with Recognizable
 Pyrochlore Units
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              135
_journal_page_last               142
_journal_volume                  57
_journal_year                    1985
_chemical_formula_sum            'F2 Nb4 O12 Pb3'
_chemical_name_systematic        'Pb3 Nb4 O12 F2'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.6595
_cell_length_b                   12.6595
_cell_length_c                   7.4524
_cell_volume                     1194.344
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Savborg_JSSCBI_1985_1202.cif
_cod_data_source_block           F2Nb4O12Pb3
_cod_database_code               1530712
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/2
-x,-y,z
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y,x,-z
-x+1/2,y+1/2,-z+1/2
-y,-x,-z
-x,-y,-z
y-1/2,-x-1/2,-z-1/2
x,y,-z
-y-1/2,x-1/2,-z-1/2
-x-1/2,y-1/2,z-1/2
-y,-x,z
x-1/2,-y-1/2,z-1/2
y,x,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
Nb1 Nb+5 0.2977 0.2977 0.2524 1 0.0
F2 F-1 0.11 0.473 0 0.5 0.0
O5 O-2 0.11 0.473 0 0.5 0.0
O4 O-2 0.258 0.258 0 1 0.0
Pb1 Pb+2 0 0 0.2563 1 0.0
O3 O-2 0.168 -0.168 0 1 0.0
Pb2 Pb+2 0.2924 0.0518 0 1 0.0
O6 O-2 0.296 0.448 0.188 1 0.0
Nb2 Nb+5 0.2412 0.5456 0 1 0.0
O2 O-2 0.301 0.144 0.308 1 0.0
F1 F-1 0.094 0.094 0 1 0.0
O1 O-2 0.39 -0.39 0 1 0.0
