#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/76/9007617.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_9007617
loop_
_publ_author_name
'Fujita, T.'
'Kawada, I.'
'Kato, K.'
_publ_section_title
;
 Raspite from Broken Hill
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              162
_journal_page_last               164
_journal_paper_doi               10.1107/S056774087700291X
_journal_volume                  33
_journal_year                    1977
_chemical_compound_source        'Broken Hill NSW, Australia'
_chemical_formula_sum            'O4 Pb W'
_chemical_name_mineral           Raspite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.63
_cell_angle_gamma                90
_cell_length_a                   13.555
_cell_length_b                   4.976
_cell_length_c                   5.561
_cell_formula_units_Z            4
_cell_volume                     357.471
_database_code_amcsd             0009580
_exptl_crystal_density_diffrn    8.455
_cod_original_formula_sum        'Pb W O4'
_cod_database_code               9007617
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Pb 0.01065 0.01410 0.01410 0.00081 0.00662 -0.00061
W 0.00499 0.00666 0.00970 0.00033 0.00291 0.00033
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb 0.14961 0.19405 0.16670 ?
W 0.07708 0.74944 0.61185 ?
O1 0.01630 0.05150 0.72900 0.00861
O2 0.05950 0.43460 0.38820 0.01203
O3 0.15100 0.61480 0.90000 0.01798
O4 0.19030 0.88290 0.53860 0.01393
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009580
