#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/80/9008036.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_9008036
loop_
_publ_author_name
'Posnjak, E.'
'Barth, T. F. W.'
_publ_section_title
;
 Notes on some structures of the ilmenite type
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              271
_journal_page_last               280
_journal_volume                  88
_journal_year                    1934
_chemical_formula_structural     NiTiO3
_chemical_formula_sum            'Ni O3 Ti'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                55.13
_cell_angle_beta                 55.13
_cell_angle_gamma                55.13
_cell_length_a                   5.45
_cell_length_b                   5.45
_cell_length_c                   5.45
_cell_formula_units_Z            2
_cell_volume                     101.502
_exptl_crystal_density_diffrn    5.057
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Ni Ti O3'
_cod_database_code               9008036
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-z,-x,-y
y,z,x
-x,-y,-z
z,x,y
-y,-z,-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ni 0.35300 0.35300 0.35300
Ti 0.14200 0.14200 0.14200
O 0.55500 -0.05500 0.25000
_cod_duplicate_entry 1010026
