#------------------------------------------------------------------------------
#$Date: 2017-10-06 18:24:22 +0200 (vie 06 de oct de 2017) $
#$Revision: 201816 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/59/9015950.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_9015950
loop_
_publ_author_name
'Moreau, J. M.'
'Galez, P.'
'Peigneux, J. P.'
'Korzhik, M. V.'
_publ_section_title
;
 Structural characterization of PbWO4 and related new phase Pb7W8O(32-x)
 Note: scheelite structure
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              46
_journal_page_last               48
_journal_paper_doi               10.1016/0925-8388(95)02175-2
_journal_volume                  238
_journal_year                    1996
_chemical_formula_sum            'O4 Pb W'
_chemical_name_mineral           Stolzite
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.456
_cell_length_b                   5.456
_cell_length_c                   12.020
_cell_volume                     357.811
_database_code_amcsd             0012777
_exptl_crystal_density_diffrn    8.447
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'Pb W O4'
_cod_database_code               9015950
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
3/4+y,1/4-x,1/4-z
1/4+y,3/4-x,3/4-z
3/4-y,1/4+x,1/4+z
1/4-y,3/4+x,3/4+z
1/2+x,y,1/2-z
+x,1/2+y,-z
1/2-x,-y,1/2+z
-x,1/2-y,+z
3/4-y,3/4+x,3/4-z
1/4-y,1/4+x,1/4-z
3/4+y,3/4-x,3/4+z
1/4+y,1/4-x,1/4+z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb 0.00000 0.25000 0.62500 0.00253
W 0.00000 0.25000 0.12500 0.00253
O 0.23880 0.11410 0.04290 0.01267
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012777
