#------------------------------------------------------------------------------
#$Date: 2024-05-29 16:00:33 +0200 (Wed 29 de May de 2024) $
#$Revision: 292100 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/60/9016035.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_9016035
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)
;
_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            'O3.6 Pb0.875 W'
_space_group_IT_number           126
_symmetry_space_group_name_Hall  '-P 4a 2bc'
_symmetry_space_group_name_H-M   'P 4/n n c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.719
_cell_length_b                   7.719
_cell_length_c                   12.018
_cell_formula_units_Z            8
_cell_volume                     716.068
_database_code_amcsd             0012778
_exptl_crystal_density_diffrn    7.843
_cod_original_sg_symbol_H-M      'P 4/n n c'
_cod_original_formula_sum        'Pb.875 W O3.6'
_cod_database_code               9016035
_amcsd_formula_title             Pb7W8O(32-x)
loop_
_space_group_symop_operation_xyz
x,y,z
-y,-x,1/2+z
y,x,1/2-z
1/2+y,-x,-z
1/2-y,x,z
1/2+x,-y,1/2+z
1/2-x,y,1/2-z
1/2+x,1/2+y,-z
1/2-x,1/2-y,z
1/2+y,1/2+x,1/2+z
1/2-y,1/2-x,1/2-z
-y,1/2+x,-z
y,1/2-x,z
-x,1/2+y,1/2+z
x,1/2-y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Pb1 0.25000 0.25000 0.25000 0.50000 0.02660
Pb2 0.25000 0.25000 0.75000 1.00000 0.00887
Pb3 0.25000 0.75000 0.75000 1.00000 0.01140
W 0.00000 0.00000 0.00000 1.00000 0.00380
O1 0.03700 0.18100 0.08600 1.00000 0.00380
O2 0.65300 0.09500 0.09600 0.80000 0.02533
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012778
