#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/23/1522326.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_1522326
loop_
_publ_author_name
'Zhao, X.-H.'
_publ_section_title
;
 The synthesis and structure of Al2 Mo3-x Wx O12
;
_journal_name_full               'Gaodeng Xuexiao Huaxue Xuebao'
_journal_page_first              339
_journal_page_last               343
_journal_volume                  20
_journal_year                    1999
_chemical_formula_sum            'Al2 Mo3'
_chemical_name_systematic        'Al2 (Mo3 O12)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 125.361
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.3812
_cell_length_b                   9.04167
_cell_length_c                   17.8808
_cell_volume                     2027.970
_citation_journal_id_ASTM        KTHPDM
_cod_data_source_file            Zhao_KTHPDM_1999_460.cif
_cod_data_source_block           Al2Mo3
_cod_original_cell_volume        2027.97
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_database_code               1522326
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
-x,-y,-z
x-1/2,-y-1/2,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
Al3 Al+3 0.1172 0.4762 0.1833 1 0.0
Al2 Al+3 0.3736 0.4566 0.0488 1 0.0
Mo3 Mo+6 0.14073 0.1106 0.25496 1 0.0
Al4 Al+3 0.1114 0.9809 0.4204 1 0.0
Mo1 Mo+6 0.99503 0.2481 0.48656 1 0.0
Mo4 Mo+6 0.14882 0.6115 0.38315 1 0.0
Mo5 Mo+6 0.3531 0.6258 0.21827 1 0.0
Mo2 Mo+6 0.35887 0.125 0.1334 1 0.0
Mo6 Mo+6 0.00217 0.746 0.01794 1 0.0
Al1 Al+3 0.3788 0.9599 0.3149 1 0.0
