#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/52/1535271.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_1535271
loop_
_publ_author_name
'Sullivan, D.C.'
'Pavlovic, A.S.'
_publ_section_title
;
 Crystal structure determination of nickel and cobalt titanate
;
_journal_name_full
'Proceedings of the West Virginia Academy of Science'
_journal_page_first              173
_journal_page_last               173
_journal_volume                  34
_journal_year                    1962
_chemical_formula_sum            'Ni O3 Ti'
_chemical_name_systematic        'Ni (Ti O3)'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                55.12
_cell_angle_beta                 55.12
_cell_angle_gamma                55.12
_cell_formula_units_Z            2
_cell_length_a                   5.443
_cell_length_b                   5.443
_cell_length_c                   5.443
_cell_volume                     101.085
_citation_journal_id_ASTM        PWVAAI
_cod_data_source_file            Sullivan_PWVAAI_1962_536.cif
_cod_data_source_block           Ni1O3Ti1
_cod_original_cell_volume        101.0846
_cod_original_sg_symbol_Hall     '-R 3 (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'Ni1 O3 Ti1'
_cod_database_code               1535271
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_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 0.53 -0.075 0.215 1 0.0
Ti1 Ti+4 0.142 0.142 0.142 1 0.0
Ni1 Ni+2 0.352 0.352 0.352 1 0.0
