#------------------------------------------------------------------------------
#$Date: 2015-07-08 15:12:36 +0300 (Wed, 08 Jul 2015) $
#$Revision: 141065 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/22/4002255.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_4002255
loop_
_publ_author_name
'Michiue, Y.'
'Onoda, M.'
'Brown, F.'
'Kimizuka, N.'
'Nakamura, M.'
'Watanabe, M.'
'Orita, M.'
'Ohta, H.'
_publ_section_title
;
 Crystal structure of In Ti0.75 Fe0.25 O3.375 and phase relations in the
 pseudobinary system In Fe O3 - In2 Ti2 O7 at 1300 C
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              2244
_journal_page_last               2249
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Fe0.25 In0.99 O3.36 Ti0.76'
_chemical_name_systematic        'In0.99 Ti0.76 Fe0.25 O3.36'
_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                 107.96
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.9207
_cell_length_b                   3.4249
_cell_length_c                   6.3836
_cell_volume                     123.138
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Michiue_CMATEX_2000_1029.cif
_cod_data_source_block           Fe0.25In0.99O3.36Ti0.76
_cod_original_cell_volume        123.1378
_cod_database_code               4002255
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
Ti2 Ti+4 0.5 0 0.5 0.69 0.0
In1 In+3 0 0 0 0.93 0.0
In2 In+3 0.5 0 0.5 0.06 0.0
O1 O-2 0.6103 0 0.8332 1 0.0
Ti1 Ti+4 0 0 0 0.07 0.0
Fe2 Fe+3 0.5 0 0.5 0.25 0.0
O2 O-2 0.663 0.5 0.493 0.68 0.0
