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#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009404.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_9009404
loop_
_publ_author_name
'Lugli, C.'
'Medici, L.'
'Saccardo, D.'
_publ_section_title
;
 Natural wulfenite: structural refinement by single-crystal X-ray diffraction
 Locality: Monte Cengio, Vicenza, Italy
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              281
_journal_page_last               288
_journal_volume                  1999
_journal_year                    1999
_chemical_formula_sum            'Mo O4 Pb'
_chemical_name_mineral           Wulfenite
_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                   5.434
_cell_length_b                   5.434
_cell_length_c                   12.107
_cell_volume                     357.500
_exptl_crystal_density_diffrn    6.821
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_11526'
_[local]_cod_cif_authors_sg_H-M  'I 41/a'
_[local]_cod_chemical_formula_sum_orig 'Pb Mo O4'
_cod_database_code               9009404
loop_
_symmetry_equiv_pos_as_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 0.50000 0.25000 0.37500 0.01013
Mo 0.00000 0.25000 0.62500 0.00583
O 0.76540 0.11400 0.54410 0.01659
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 0.01013 0.00988 0.00988 0.01038 0.00000 0.00000
Mo 0.00583 0.00481 0.00481 0.00760 0.00000 0.00000
O 0.01659 0.01634 0.01646 0.01748 -0.00253 -0.00405