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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/95/1529594.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_1529594
loop_
_publ_author_name
'Bart, J.C.J.'
'Giordano, N.'
_publ_section_title
;
 The crystal structure of a tellurium-molybdenum oxide, alpha-Te2 Mo O7,
 and the systematics of related structures
;
_journal_name_full               'Gazzetta Chimica Italiana'
_journal_page_first              73
_journal_page_last               92
_journal_volume                  109
_journal_year                    1979
_chemical_formula_sum            'Mo O7 Te2'
_chemical_name_systematic        'Te2 Mo O7'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.6
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.255
_cell_length_b                   8.603
_cell_length_c                   15.927
_cell_volume                     580.237
_citation_journal_id_ASTM        GCITA9
_cod_data_source_file            Bart_GCITA9_1979_476.cif
_cod_data_source_block           Mo1O7Te2
_cod_original_cell_volume        580.2375
_cod_original_formula_sum        'Mo1 O7 Te2'
_cod_database_code               1529594
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
Te1 Te+4 0.693 0.80439 0.89066 1 0.0
O4 O-2 0.0599 0.896 0.6851 1 0.0
O2 O-2 0.528 0.8722 0.5696 1 0.0
Mo1 Mo+6 0.123 0.86539 0.56803 1 0.0
O5 O-2 0.0909 0.8579 0.8559 1 0.0
O7 O-2 0.5732 0.6583 0.8069 1 0.0
O3 O-2 0.9738 0.6069 0.9499 1 0.0
O1 O-2 0.0364 0.6701 0.5644 1 0.0
Te2 Te+4 0.84592 0.54169 0.72727 1 0.0
O6 O-2 0.5702 0.9809 0.8115 1 0.0
