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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/1/53/02/1530248.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_1530248
loop_
_publ_author_name
'Latroche, M.'
'Brohan, L.'
'Tournoux, M.'
'Marchand, R.'
_publ_section_title
;
 New Hollandite Oxides: Ti O2 (H) and K.06 Ti O2
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              78
_journal_page_last               82
_journal_volume                  81
_journal_year                    1989
_chemical_formula_sum            'K0.06 O2 Ti'
_chemical_name_systematic        'K0.06 Ti O2'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.182
_cell_length_b                   10.182
_cell_length_c                   2.966
_cell_volume                     307.494
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Latroche_JSSCBI_1989_1802.cif
_cod_data_source_block           K0.06O2Ti1
_cod_original_cell_volume        307.4945
_cod_original_formula_sum        'K0.06 O2 Ti1'
_cod_database_code               1530248
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
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
O2 O-2 0.5404 0.1643 0 1 0.0
K1 K+1 0 0 0.5 0.243 0.0
Ti1 Ti+3 0.3521 0.16935 0 1 0.0
O1 O-2 0.1569 0.2075 0 1 0.0
