#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/63/1526327.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1526327
loop_
_publ_author_name
'Hibbs, D.E.'
'Jury, C.M.'
'Williams, P.A.'
'Leverett, P.'
'Plimer, I.R.'
_publ_section_title
;
 An explanation for the origin of hemihedrism in wulfenite: the single
 crystal structures of I41/a and I4- tungstenian wulfenites
;
_journal_name_full               'Mineralogical Magazine (1969-)'
_journal_page_first              1057
_journal_page_last               1062
_journal_volume                  64
_journal_year                    2000
_chemical_formula_sum            'Mo0.64 O4 Pb W0.36'
_chemical_name_systematic        'Pb (Mo0.64 W0.36) O4'
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.441
_cell_length_b                   5.441
_cell_length_c                   12.068
_cell_volume                     357.267
_citation_journal_id_ASTM        MNLMBB
_cod_data_source_file            Hibbs_MNLMBB_2000_272.cif
_cod_data_source_block           Mo0.64O4Pb1W0.36
_cod_original_cell_volume        357.2669
_cod_original_formula_sum        'Mo0.64 O4 Pb1 W0.36'
_cod_database_code               1526327
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Mo1 Mo+6 0 0 0 0.544 0.0
O2 O-2 0.2346 0.6381 0.1685 1 0.0
Pb2 Pb+2 0 0.5 0.75 1 0.0
W1 W+6 0 0 0 0.456 0.0
W2 W+6 0 0.5 0.25 0.264 0.0
Pb1 Pb+2 0 0 0.5 1 0.0
Mo2 Mo+6 0 0.5 0.25 0.736 0.0
O1 O-2 0.2337 0.1378 0.0816 1 0.0
