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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/56/1525685.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_1525685
loop_
_publ_author_name
'Biswas, S.K.'
'Datta, T.K.'
'Chowdury, D.A.'
'Alamgir, M.'
_publ_section_title
;
 Synthesis and X-ray diffraction study of Al2 Ti0.656 Mo0.344 O5
;
_journal_name_full               'Nuclear Science and Applications'
_journal_page_first              33
_journal_page_last               37
_journal_volume                  7
_journal_year                    1998
_chemical_formula_sum            'Al2 Mo0.344 O5 Ti0.656'
_chemical_name_systematic        'Al2 Ti0.656 Mo0.344 O5'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.4778
_cell_length_b                   9.7728
_cell_length_c                   3.6299
_cell_volume                     336.218
_citation_journal_id_ASTM        NSAPEE
_cod_data_source_file            Biswas_NSAPEE_1998_1016.cif
_cod_data_source_block           Al2Mo0.344O5Ti0.656
_cod_original_cell_volume        336.2182
_cod_original_sg_symbol_Hall     '-C 2c 2 (y,z,x)'
_cod_database_code               1525685
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,z
x,-y+1/2,-z
-x,-y,-z
x,-y-1/2,z
x,y,-z
-x,y-1/2,z
x+1/2,y,z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,-y,-z+1/2
x+1/2,-y-1/2,z+1/2
x+1/2,y,-z+1/2
-x+1/2,y-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
Ti1 Ti+4 0.12485 0.25 0 0.656 0.0
O3 O-2 0.16553 0.21937 0 1 0.0
Al1 Al+3 0.16615 0.10115 0 1 0.0
O1 O-2 0.44903 0.25 0 1 0.0
Mo1 Mo+4 0.12485 0.25 0 0.344 0.0
O2 O-2 -0.01126 0.07245 0 1 0.0
