#------------------------------------------------------------------------------
#$Date: 2015-09-18 00:49:59 +0300 (Fri, 18 Sep 2015) $
#$Revision: 157230 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/25/4002518.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_4002518
loop_
_publ_author_name
'Leclaire, A.'
'Chardon, J.'
'Provost, J.'
'Boudin, S.'
'Raveau, B.'
_publ_section_title
;
 A lead phosphomolybdenum purple bronze: Pb0.9 P Mo5 O17
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              3427
_journal_page_last               3431
_journal_volume                  14
_journal_year                    2002
_chemical_formula_sum            'Mo4.93 O17 P1.07 Pb0.92'
_chemical_name_systematic        'Pb0.92 P1.07 Mo4.93 O17'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.415
_cell_length_b                   5.415
_cell_length_c                   13.476
_cell_volume                     342.207
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Leclaire_CMATEX_2002_680.cif
_cod_data_source_block           Mo4.93O17P1.07Pb0.92
_cod_original_cell_volume        342.2067
_cod_database_code               4002518
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
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
O2 O-2 0.8339 0.1661 0.1643 1 0.0
P1 P+5 0.3333 0.6667 0.3787 0.534 0.0
O1 O-2 0.5 0 0 1 0.0
Pb1 Pb+2 0.1063 0.14 0.5 0.0764 0.0
Mo1 Mo+5 0 0 0.22879 1 0.0
O3 O-2 0.6552 0.8276 0.3352 1 0.0
Mo2 Mo+5 0.3333 0.6667 0.9256 1 0.0
O4 O-2 0.3333 0.6667 0.497 1 0.0
Mo3 Mo+6 0.3333 0.6667 0.3787 0.466 0.0
