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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/53/9015377.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_9015377
loop_
_publ_author_name
'Mouron, P.'
'Odier, P.'
'Choisnet, J.'
_publ_section_title
;
 Titanates de cuivre substitues a structure bixbyite: Les composes
 Cu1-x Ti1-x Fe2x O3 (0.15<x<0.33)
 _cod_database_code 1001551
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              87
_journal_page_last               94
_journal_paper_doi               10.1016/0022-4596(85)90167-7
_journal_volume                  60
_journal_year                    1985
_chemical_formula_sum            'Cu0.667 Fe0.667 O3 Ti0.667'
_space_group_IT_number           206
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
_symmetry_space_group_name_H-M   'I a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.4312
_cell_length_b                   9.4312
_cell_length_c                   9.4312
_cell_formula_units_Z            16
_cell_volume                     838.882
_database_code_amcsd             0013563
_exptl_crystal_density_diffrn    5.052
_cod_duplicate_entry             1001551
_cod_original_sg_symbol_H-M      'I a 3'
_cod_original_formula_sum        'Cu.667 Ti.667 Fe.667 O3'
_cod_database_code               9015377
_amcsd_formula_title             'Cu0.6667 Fe0.6667 O3 Ti0.6667'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/2+z,x,1/2-y
+z,1/2+x,-y
1/2+z,-x,y
+z,1/2-x,1/2+y
-z,x,1/2+y
1/2-z,1/2+x,+y
-z,-x,-y
1/2-z,1/2-x,1/2-y
1/2+y,1/2-z,-x
+y,-z,1/2-x
-y,1/2-z,x
1/2-y,-z,1/2+x
1/2-y,z,-x
-y,1/2+z,1/2-x
y,z,x
1/2+y,1/2+z,1/2+x
x,1/2-y,1/2+z
1/2+x,-y,+z
-x,y,1/2+z
1/2-x,1/2+y,+z
x,1/2+y,-z
1/2+x,+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,1/2-z
1/2-z,-x,1/2+y
-z,1/2-x,+y
1/2-z,x,-y
-z,1/2+x,1/2-y
z,-x,1/2-y
1/2+z,1/2-x,-y
z,x,y
1/2+z,1/2+x,1/2+y
1/2-y,1/2+z,x
-y,+z,1/2+x
y,1/2+z,-x
1/2+y,+z,1/2-x
1/2+y,-z,x
+y,1/2-z,1/2+x
-y,-z,-x
1/2-y,1/2-z,1/2-x
-x,1/2+y,1/2-z
1/2-x,+y,-z
x,-y,1/2-z
1/2+x,1/2-y,-z
-x,1/2-y,z
1/2-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1 0.25000 0.25000 0.25000 0.33330
Ti1 0.25000 0.25000 0.25000 0.33330
Fe1 0.25000 0.25000 0.25000 0.33330
Cu2 -0.03000 0.00000 0.25000 0.33330
Ti2 -0.03000 0.00000 0.25000 0.33330
Fe2 -0.03000 0.00000 0.25000 0.33330
O1 0.37700 0.15800 0.39500 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013563
