#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/40/9014025.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_9014025
loop_
_publ_author_name
'Xu, K.'
'Xue, J.'
'Ding, Y.'
'Lu, G.'
_publ_section_title
;
 Discovery of stolzite in China and refinement of its crystal structure
;
_journal_name_full               'Acta Geologica Sinica'
_journal_page_first              111
_journal_page_last               116
_journal_paper_doi               10.1111/j.1755-6724.1995.mp8001009.x
_journal_volume                  8
_journal_year                    1995
_chemical_compound_source        'Yaogangxian, Hunan Province, China'
_chemical_formula_sum            'O4 Pb W'
_chemical_name_mineral           Stolzite
_space_group_IT_number           88
_symmetry_space_group_name_Hall  'I 4bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.44505
_cell_length_b                   5.44503
_cell_length_c                   12.0495
_cell_formula_units_Z            4
_cell_volume                     357.249
_database_code_amcsd             0011974
_exptl_crystal_density_diffrn    8.460
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'Pb W O4'
_cod_database_code               9014025
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/2+y,1/2-x,1/2-z
+y,-x,-z
-y,1/2+x,1/4+z
1/2-y,+x,3/4+z
1/2+x,y,3/4-z
+x,1/2+y,1/4-z
1/2-x,1/2-y,1/2+z
-x,-y,+z
-y,x,-z
1/2-y,1/2+x,1/2-z
1/2+y,-x,3/4+z
+y,1/2-x,1/4+z
-x,1/2-y,1/4-z
1/2-x,-y,3/4-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 0.00021 0.00000 0.00589 0.00000 0.00000 0.00000
W 0.01453 0.00000 0.01120 0.00000 0.00000 0.00000
O 0.18019 0.03244 0.10137 0.13660 0.05347 0.01689
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb 0.00000 0.00000 0.50000
W 0.00000 0.00000 0.00000
O 0.26370 0.11370 0.07060
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0011974