#------------------------------------------------------------------------------
#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/87/9008749.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_9008749
loop_
_publ_author_name
'Wyckoff, R. W. G.'
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 rocksalt structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     TiO
_chemical_formula_sum            'O Ti'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.1766
_cell_length_b                   4.1766
_cell_length_c                   4.1766
_cell_formula_units_Z            4
_cell_volume                     72.857
_database_code_amcsd             0011427
_exptl_crystal_density_diffrn    5.824
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Ti O'
_cod_database_code               9008749
_amcsd_formula_title             TiO
loop_
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1/2+x,y,1/2+z
1/2+x,1/2+y,z
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1/2-y,1/2-z,-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ti 0.00000 0.00000 0.00000
O 0.50000 0.50000 0.50000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 8466200
2 AMCSD 0011427
