#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (jue 18 de feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/11/1011170.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_1011170
loop_
_publ_author_name
'Dickinson, R G'
_publ_section_title
;
The crystal structure of wulfenite and scheelite
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              85
_journal_page_last               93
_journal_paper_doi               10.1021/ja01446a012
_journal_volume                  42
_journal_year                    1920
_chemical_formula_structural     'Pb (Mo O4)'
_chemical_formula_sum            'Mo O4 Pb'
_chemical_name_mineral           Wulfenite
_chemical_name_systematic        'Lead molybdate'
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_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_formula_units_Z            4
_cell_length_a                   5.47
_cell_length_b                   5.47
_cell_length_c                   12.08
_cell_volume                     361.4
_exptl_crystal_density_meas      6.82
_cod_original_sg_symbol_H-M      'I 41/a S'
_cod_database_code               1011170
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,1/2+y,1/4-z
-x,1/2-y,1/4-z
-y,x,-z
y,-x,-z
-y,1/2+x,1/4+z
y,1/2-x,1/4+z
1/2+x,1/2+y,1/2+z
1/2-x,1/2-y,1/2+z
1/2+x,y,3/4-z
1/2-x,-y,3/4-z
1/2-y,1/2+x,1/2-z
1/2+y,1/2-x,1/2-z
1/2-y,x,3/4+z
1/2+y,-x,3/4+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Pb1 Pb2+ 4 b 0. 0. 0.5 1. 0 d
Mo1 Mo6+ 4 a 0. 0. 0. 1. 0 d
O1 O2- 16 f -1. -1. -1. 1. 0 dum
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pb2+ 2.000
Mo6+ 6.000
O2- -2.000
