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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/1/52/07/1520773.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_1520773
loop_
_publ_author_name
'Adams, S.'
_publ_section_title
;
 CDW superstructures in hydrogen molybdenum bronzes Hx Mo O3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              75
_journal_page_last               87
_journal_volume                  149
_journal_year                    2000
_chemical_formula_sum            'H0.6 Mo O3'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.73
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.543
_cell_length_b                   3.852
_cell_length_c                   3.7691
_cell_volume                     211.126
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Adams_JSSCBI_2000_1746.cif
_cod_data_source_block           H0.6Mo1O3
_cod_original_cell_volume        211.1265
_cod_original_formula_sum        'H0.6 Mo1 O3'
_cod_database_code               1520773
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-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
H1 H+1 0.52 0 0.28 0.6 0.0
O3 O-2 0.209 0.086 0.186 0.5 0.0
Mo1 Mo+5 0.0967 0 0.256 1 0.0
O1 O-2 0.9312 0 0.276 1 0.0
O2 O-2 0.5824 0 0.244 1 0.0
