#------------------------------------------------------------------------------
#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/28/9012833.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9012833
loop_
_publ_author_name
'Mullica, D. F.'
'Beall, G. W.'
'Milligan, W. O.'
'Korp, J. D.'
'Bernal, I.'
_publ_section_title
;
 The crystal structure of cubic In(OH)3 by X-Ray and neutron diffraction methods
 Locality: synthetic
 Sample: neutron refinement
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              277
_journal_page_last               282
_journal_volume                  41
_journal_year                    1979
_chemical_formula_sum            'H3 In O3'
_chemical_name_mineral           Dzhalindite
_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_length_a                   7.9743
_cell_length_b                   7.9743
_cell_length_c                   7.9743
_cell_volume                     507.081
_exptl_crystal_density_diffrn    4.345
_[local]_cod_cif_authors_sg_H-M  'I m 3'
_[local]_cod_chemical_formula_sum_orig 'In O3 H3'
_cod_database_code               9012833
_amcsd_database_code             AMCSD#0013753
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
z,x,-y
1/2+z,1/2+x,1/2-y
z,-x,y
1/2+z,1/2-x,1/2+y
-z,x,y
1/2-z,1/2+x,1/2+y
-z,-x,-y
1/2-z,1/2-x,1/2-y
y,-z,-x
1/2+y,1/2-z,1/2-x
-y,-z,x
1/2-y,1/2-z,1/2+x
-y,z,-x
1/2-y,1/2+z,1/2-x
y,z,x
1/2+y,1/2+z,1/2+x
x,-y,z
1/2+x,1/2-y,1/2+z
-x,y,z
1/2-x,1/2+y,1/2+z
x,y,-z
1/2+x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,1/2-z
-z,-x,y
1/2-z,1/2-x,1/2+y
-z,x,-y
1/2-z,1/2+x,1/2-y
z,-x,-y
1/2+z,1/2-x,1/2-y
z,x,y
1/2+z,1/2+x,1/2+y
-y,z,x
1/2-y,1/2+z,1/2+x
y,z,-x
1/2+y,1/2+z,1/2-x
y,-z,x
1/2+y,1/2-z,1/2+x
-y,-z,-x
1/2-y,1/2-z,1/2-x
-x,y,-z
1/2-x,1/2+y,1/2-z
x,-y,-z
1/2+x,1/2-y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
O 0.00709 0.01514 0.01063 0.00000 0.00000 0.00000
H1 0.01933 0.03093 0.01546 0.00000 0.00000 0.00000
H2 0.02126 0.01740 0.03157 0.00000 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
In 0.25000 0.25000 0.25000 1.00000 0.00621
O 0.00000 0.31880 0.17120 1.00000 ?
H1 0.00000 0.30780 0.04510 0.52000 ?
H2 0.00000 0.44580 0.17570 0.48000 ?