#------------------------------------------------------------------------------
#$Date: 2015-09-28 15:58:30 +0300 (Mon, 28 Sep 2015) $
#$Revision: 158589 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/26/1532636.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_1532636
loop_
_publ_author_name
'Cruz, L.P.'
'Savariault, J.M.'
'Morais, C.M.'
'Rocha, J.'
'Pedrosa de Jesus, J.D.'
'Fernandez, C.'
_publ_section_title
;
 Non-stoichiometric mixed lead and tin niobates
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1549
_journal_page_last               1558
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Nb1.82 O6.53 Pb1.03 Sn0.76'
_chemical_name_systematic        'Sn0.58 Pb1.03 ((Nb1.82 Sn0.18) O6.53)'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.5762
_cell_length_b                   10.5762
_cell_length_c                   10.5762
_cell_volume                     1183.011
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Cruz_JSSCBI_2004_1682.cif
_cod_data_source_block           Nb1.82O6.53Pb1.03Sn0.76
_cod_database_code               1532636
loop_
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x,y,z
-y,x+1/4,z+1/4
-x+3/4,-y+1/4,z+1/2
y+3/4,-x,z+3/4
x,-y+1/4,-z+1/4
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-x+3/4,y,-z+3/4
-y,-x,-z
z,x,y
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z,-x+1/4,-y+1/4
x+3/4,z+1/4,-y+1/2
-z+3/4,x,-y+3/4
-x,-z,-y
y,z,x
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z+1/4,y+3/4,-x+1/2
-y+1/4,z+1/2,-x+3/4
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-x,-y,-z
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x-3/4,-y,z-3/4
y,x,z
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-y-3/4,x+1/2,-z-1/4
-x,y+1/4,z+1/4
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x-3/4,-y+1/2,z-1/4
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-z,-x+1/2,-y+1/2
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-x-3/4,z+1/2,-y-1/4
-z,x+1/4,y+1/4
-x-3/4,-z+1/4,y
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z,y,x
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z,-y+1/4,-x-3/4
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
Sn1 Sn+4 0 0 0 0.09 0.0
Pb1 Pb+2 0.5 0.5 0.5 0.515 0.0
Sn2 Sn+2 0 0.2947 0.7053 0.048 0.0
O1 O-2 0.3109 0.125 0.125 1 0.0
O2 O-2 0.375 0.375 0.375 0.53 0.0
Nb1 Nb+5 0 0 0 0.91 0.0
