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#$Date: 2015-09-09 11:50:00 +0300 (Wed, 09 Sep 2015) $
#$Revision: 155572 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/04/1530462.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_1530462
loop_
_publ_author_name
'Mullica, D.F.'
'Sappenfield, E.L.'
'Gable, D.R.'
_publ_section_title
;
 Synthesis, spectral analyses and X-ray diffraction studies of 1:1
 (Sc,In)(O H)3
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              341
_journal_page_last               347
_journal_volume                  142
_journal_year                    1988
_chemical_formula_sum            'H3 In0.5 O3 Sc0.49'
_chemical_name_systematic        'Sc0.49 In0.50 (O H)3'
_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            8
_cell_length_a                   7.951
_cell_length_b                   7.951
_cell_length_c                   7.951
_cell_volume                     502.650
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Mullica_JCOMAH_1988_1698.cif
_cod_data_source_block           H3In0.5O3Sc0.49
_cod_original_cell_volume        502.6495
_cod_database_code               1530462
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
O1 O-2 0 0.317 0.172 1 0.0
Sc1 Sc+3 0.25 0.25 0.25 0.49 0.0
In1 In+3 0.25 0.25 0.25 0.5 0.0
