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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/99/1529950.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_1529950
loop_
_publ_author_name
'Fujishita, H.'
'Sato, M.'
'Hoshino, S.'
'Sato, S.'
_publ_section_title
;
 Structure determination of low-dimensional conductor Mo8 O23
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              40
_journal_page_last               46
_journal_volume                  66
_journal_year                    1987
_chemical_formula_sum            'Mo8 O23'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.27
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.384
_cell_length_b                   4.0616
_cell_length_c                   16.883
_cell_volume                     881.013
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Fujishita_JSSCBI_1987_1386.cif
_cod_data_source_block           Mo8O23
_cod_original_cell_volume        881.0129
_cod_database_code               1529950
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,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
Mo1 Mo+5 0.06397 0.585 0.41655 1 0.0
Mo3 Mo+5 0.31501 0.59 0.07903 1 0.0
O4 O-2 0.4469 0.9918 0.4074 1 0.0
O2 O-2 0.1911 0.9971 0.2458 1 0.0
O9 O-2 0.2612 0.5144 0.1632 1 0.0
O10 O-2 0.3261 0.4891 0.3282 1 0.0
Mo4 Mo+5 0.44659 0.4079 0.40204 1 0.0
O11 O-2 0.4113 0.5015 0.0045 1 0.0
O6 O-2 0.0645 0.4943 0.1643 1 0.0
O1 O-2 0.0658 -0.0012 0.4164 1 0.0
O8 O-2 0.1989 0.4945 0.496 1 0.0
O12 O-2 0.457 0.4908 0.1532 1 0.0
O3 O-2 0.3191 0.0069 0.077 1 0.0
Mo2 Mo+5 0.18514 0.4131 0.24568 1 0.0
O7 O-2 0.1293 0.493 0.3303 1 0.0
O5 O-2 0 0.5 0 1 0.0
