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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/46/9014619.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9014619
loop_
_publ_author_name
'Baldinozzi, G.'
'Sciau, P.'
'Pinot, M.'
'Grebille, D.'
_publ_section_title
;
 Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6
 _cod_database_code 1001660
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              668
_journal_page_last               673
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Mg O6 Pb1.999 W'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.0058
_cell_length_b                   8.0058
_cell_length_c                   8.0058
_cell_volume                     513.114
_database_code_amcsd             0009887
_exptl_crystal_density_diffrn    9.299
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Pb1.999 Mg W O6'
_cod_database_code               9014619
_amcsd_formula_title             'Mg O6 Pb2 W'
loop_
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x,y,z
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1/2+x,y,1/2+z
1/2+x,1/2+y,z
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z,1/2-x,1/2+y
1/2+z,-x,1/2+y
1/2+z,1/2-x,y
-y,z,-x
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1/2-y,z,1/2-x
1/2-y,1/2+z,-x
x,-y,z
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1/2+x,-y,1/2+z
1/2+x,1/2-y,z
-z,x,-y
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1/2-z,x,1/2-y
1/2-z,1/2+x,-y
y,-z,x
y,1/2-z,1/2+x
1/2+y,-z,1/2+x
1/2+y,1/2-z,x
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loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb1 0.27290 0.27290 0.25000 0.08330
Mg1 0.50000 0.50000 0.50000 1.00000
W1 0.00000 0.00000 0.00000 1.00000
O1 0.23980 0.02290 0.00400 0.12500