#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/42/1524256.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_1524256
loop_
_publ_author_name
'Dickens, P.G.'
'Birtill, J.J.'
'Wright, C.J.'
_publ_section_title
;
 Elastic and inelastic neutron studies of hydrogen molybdenum bronzes
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              185
_journal_page_last               193
_journal_volume                  28
_journal_year                    1979
_chemical_formula_sum            'D0.36 Mo O3'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.895
_cell_length_b                   14.07
_cell_length_c                   3.737
_cell_volume                     204.798
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Dickens_JSSCBI_1979_436.cif
_cod_data_source_block           D0.36Mo1O3
_cod_original_cell_volume        204.7975
_cod_original_formula_sum        'D0.36 Mo1 O3'
_cod_database_code               1524256
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
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
O3 O-2 0 0.586 0.25 1 0.0
Mo1 Mo+5 0 0.1048 0.25 1 0.0
O2 O-2 0 0.2234 0.25 1 0.0
D1 D+1 0 0.5257 0.4352 0.18 0.0
O1 O-2 0 0.9328 0.25 1 0.0
