#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/19/1531921.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_1531921
loop_
_publ_author_name
'le Senechal, C.'
'Guerin, R.'
'Deputier, S.'
'Babizhet'sky, V.S.'
'Pivan, J.Y.'
_publ_section_title
;
 Direct and reverse limiting series of transition metal phosphides with
 ordered defects and metal/non metal ratio close to 2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1325
_journal_page_last               1333
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'Mo13 P9 U'
_chemical_name_systematic        'U Mo13 P9'
_space_group_IT_number           187
_symmetry_space_group_name_Hall  'P -6 2'
_symmetry_space_group_name_H-M   'P -6 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   10.8061
_cell_length_b                   10.8061
_cell_length_c                   3.3138
_cell_volume                     335.116
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            leSenechal_ZAACAB_2001_2.cif
_cod_data_source_block           Mo13P9U1
_cod_original_cell_volume        335.1158
_cod_original_formula_sum        'Mo13 P9 U1'
_cod_database_code               1531921
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-z
-y,-x,-z
-x+y,y,z
x,x-y,-z
-y,-x,z
-x+y,y,-z
x,x-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
Mo3 Mo 0.2409 0.4818 0.5 1 0.0
P3 P 0.7942 0.5884 0.5 1 0.0
P2 P 0.4356 0.8712 0 1 0.0
P1 P 0.0979 0.1958 0.5 1 0.0
Mo4 Mo 0.5268 0.0536 0.5 1 0.0
Mo1 Mo 0 0 0 1 0.0
Mo2 Mo 0.2844 0.2798 0 1 0.0
U1 U 0.6667 0.3333 0 1 0.0
