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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/1/52/96/1529612.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_1529612
loop_
_publ_author_name
'Bell, R.G.'
'Weller, M.T.'
_publ_section_title
;
 Structure of the proton conductor, cubic H Sb O3 * x(H2 O)
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              601
_journal_page_last               606
_journal_volume                  28
_journal_year                    1988
_chemical_formula_sum            'D2.62 O3.81 Sb'
_chemical_name_systematic        'D Sb O3 (D2 O)0.81'
_space_group_IT_number           204
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   9.5505
_cell_length_b                   9.5505
_cell_length_c                   9.5505
_cell_volume                     871.121
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Bell_SSIOD3_1988_1690.cif
_cod_data_source_block           D2.62O3.81Sb1
_cod_original_cell_volume        871.1207
_cod_original_formula_sum        'D2.62 O3.81 Sb1'
_cod_database_code               1529612
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
z,x,y
-z,-x,y
z,-x,-y
-z,x,-y
y,z,x
y,-z,-x
-y,z,-x
-y,-z,x
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
-z,-x,-y
z,x,-y
-z,x,y
z,-x,y
-y,-z,-x
-y,z,x
y,-z,x
y,z,-x
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
z+1/2,x+1/2,y+1/2
-z+1/2,-x+1/2,y+1/2
z+1/2,-x+1/2,-y+1/2
-z+1/2,x+1/2,-y+1/2
y+1/2,z+1/2,x+1/2
y+1/2,-z+1/2,-x+1/2
-y+1/2,z+1/2,-x+1/2
-y+1/2,-z+1/2,x+1/2
-x+1/2,-y+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
-z+1/2,-x+1/2,-y+1/2
z+1/2,x+1/2,-y+1/2
-z+1/2,x+1/2,y+1/2
z+1/2,-x+1/2,y+1/2
-y+1/2,-z+1/2,-x+1/2
-y+1/2,z+1/2,x+1/2
y+1/2,-z+1/2,x+1/2
y+1/2,z+1/2,-x+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
Sb1 Sb+5 0.84 0 0.5 1 0.0
O4 O-2 0.1055 0.1055 0.1055 0.275 0.0
D4 D+1 0 0.048 0.2711 0.279 0.0
D2 D+1 0.1919 0.0674 0.111 0.092 0.0
O1 O-2 0.3665 0 0 1 0.0
D1 D+1 0.2366 0.2244 0.1052 0.331 0.0
O3 O-2 0.1671 0.1671 0.1671 0.331 0.0
O2 O-2 0 0.3428 0.2912 1 0.0
D3 D+1 0.0868 0.2016 0.1617 0.092 0.0
