#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/98/1529803.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_1529803
loop_
_publ_author_name
'Dickens, P.G.'
'Short, A.T.'
'Crouch-Baker, S.'
_publ_section_title
;
 The crystal structure of D1.7 Mo O3 by powder neutron diffraction
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              1294
_journal_page_last               1299
_journal_volume                  28
_journal_year                    1988
_chemical_formula_sum            'D1.7 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                 93.9
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.86
_cell_length_b                   3.773
_cell_length_c                   4.059
_cell_volume                     211.769
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Dickens_SSIOD3_1988_1681.cif
_cod_data_source_block           D1.7Mo1O3
_cod_original_cell_volume        211.7689
_cod_original_formula_sum        'D1.7 Mo1 O3'
_cod_database_code               1529803
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
D1 D+1 0.238 0.346 0.901 0.43 0.0
O3 O-2 0.225 0 0.247 1 0.0
O2 O-2 0.577 0 0.225 1 0.0
O1 O-2 0.925 0 0.277 1 0.0
Mo1 Mo+4 0.068 0 0.214 1 0.0
D2 D+1 0.736 0.151 0.611 0.41 0.0
