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#$Date: 2015-09-12 18:36:52 +0200 (Sat 12 de Sep de 2015) $
#$Revision: 156199 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/09/1530961.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_1530961
loop_
_publ_author_name
'Vogt, T.'
'Wuestefeld, C.'
'Schweda, E.'
'Straehle, J.'
'Cheetham, A.K.'
_publ_section_title
;
 Structural Analysis of a Potassium Hollandite K1.35 Ti8 O16
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              61
_journal_page_last               68
_journal_volume                  83
_journal_year                    1989
_chemical_formula_sum            'K1.28 O16 Ti8'
_chemical_name_systematic        'K1.28 Ti8 O16'
_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            1
_cell_length_a                   10.18
_cell_length_b                   10.18
_cell_length_c                   2.9661
_cell_volume                     307.384
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Vogt_JSSCBI_1989_1873.cif
_cod_data_source_block           K1.28O16Ti8
_cod_original_cell_volume        307.3841
_cod_database_code               1530961
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
K1 K+1 0 0 0.5 0.24 0.0
K2 K+1 0 0 0.68 0.2 0.0
O2 O-2 -0.2956 0.6564 0.5 1 0.0
Ti1 Ti+3 0.1501 0.6668 0.5 1 0.0
O1 O-2 -0.0396 0.6662 0.5 1 0.0
