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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/96/1539682.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_1539682
loop_
_publ_author_name
'Feist, T.P.'
'Davies, P.K.'
_publ_section_title
;
 The soft chemical synthesis of Ti O2 (B) from layered titanates
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              275
_journal_page_last               295
_journal_volume                  101
_journal_year                    1992
_chemical_formula_sum            'O2 Ti'
_chemical_name_systematic        'Ti O2'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.05
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.1787
_cell_length_b                   3.7412
_cell_length_c                   6.5249
_cell_volume                     284.227
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Feist_JSSCBI_1992_911.cif
_cod_data_source_block           O2Ti1
_cod_original_cell_volume        284.2274
_cod_original_formula_sum        'O2 Ti1'
_cod_database_code               1539682
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,z
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
O4 O 0.362 0.25 0.293 1 0.0
Ti2 Ti 0.099 0.25 0.705 1 0.0
O2 O 0.264 0.25 0.653 1 0.0
O1 O 0.132 0.25 0.004 1 0.0
O3 O 0.06 0.25 0.371 1 0.0
Ti1 Ti 0.197 0.25 0.292 1 0.0
