#------------------------------------------------------------------------------
#$Date: 2015-07-14 03:00:20 +0300 (Tue, 14 Jul 2015) $
#$Revision: 151864 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/89/1528976.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_1528976
loop_
_publ_author_name
'Watts, J.A.'
_publ_section_title
;
 K3 Ti8 O17 a new alkali titanate bronze
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              319
_journal_page_last               325
_journal_volume                  1
_journal_year                    1970
_chemical_formula_sum            'K3 O17 Ti8'
_chemical_name_systematic        'K3 Ti8 O17'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 95
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.68
_cell_length_b                   3.809
_cell_length_c                   12.06
_cell_volume                     717.544
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Watts_JSSCBI_1970_1924.cif
_cod_data_source_block           K3O17Ti8
_cod_original_cell_volume        717.5441
_cod_database_code               1528976
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-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
O3 O-2 0.103 0 0.461 1 0.0
O9 O-2 0.361 0 0.913 1 0.0
Ti1 Ti+3 0.1134 0 0.0736 1 0.0
O7 O-2 0.279 0 0.433 1 0.0
O2 O-2 0.064 0 0.23 1 0.0
O5 O-2 0.172 0 0.931 1 0.0
K2 K+1 0.4429 0 0.1715 1 0.0
O6 O-2 0.233 0 0.191 1 0.0
Ti2 Ti+3 0.1484 0 0.3249 1 0.0
O4 O-2 0.144 0 0.713 1 0.0
Ti4 Ti+3 0.2457 0 0.8311 1 0.0
K1 K+1 0.4871 0 0.46102 0.5 0.0
O1 O-2 0 0 0 1 0.0
Ti3 Ti+3 0.1984 0 0.5769 1 0.0
O8 O-2 0.317 0 0.678 1 0.0
