#------------------------------------------------------------------------------
#$Date: 2017-10-06 18:24:22 +0200 (vie 06 de oct de 2017) $
#$Revision: 201816 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/53/9015355.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_9015355
loop_
_publ_author_name
'Swamy, V.'
'Dubrovinsky, L. S.'
'Dubrovinskaia, N. A.'
'Langenhorst, F.'
'Simionovici, A. S.'
'Drakopoulos, M.'
'Dmitriev, V.'
'Weber, H. P.'
_publ_section_title
;
 Size effects on the structure and phase transition behavior of baddeleyite TiO2
;
_journal_name_full               'Solid State Communications'
_journal_page_first              541
_journal_page_last               546
_journal_paper_doi               10.1016/j.ssc.2005.02.035
_journal_volume                  134
_journal_year                    2005
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Ti'
_chemical_name_mineral           Baddeleyite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.6
_cell_angle_gamma                90
_cell_length_a                   4.589
_cell_length_b                   4.849
_cell_length_c                   4.736
_cell_volume                     104.201
_database_code_amcsd             0015497
_exptl_crystal_density_diffrn    5.092
_cod_original_formula_sum        'Ti O2'
_cod_database_code               9015355
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ti1 0.30900 0.04500 0.21800
O1 0.05600 0.34700 0.28200
O2 0.42500 0.72700 0.46300
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015497
