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#$Date: 2015-10-10 08:31:49 +0300 (Sat, 10 Oct 2015) $
#$Revision: 165192 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/71/1537169.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_1537169
loop_
_publ_author_name
'Roth, R.S.'
'Parker, H.S.'
'Brower, W.S.'
_publ_section_title
;
 Crystal chemistry of lithium in octahedrally coordinated structures III.
 A new structure-type in the system K2O:Li2O:TiO2 (KxLixTi4-x/2O8)
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              327
_journal_page_last               332
_journal_volume                  8
_journal_year                    1973
_chemical_formula_sum            'K1.33333 Li1.3333 O8 Ti3.3333'
_chemical_name_systematic        'K1.33333 Li1.3333 Ti3.3333 O8'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.821
_cell_length_b                   15.591
_cell_length_c                   2.973
_cell_volume                     177.111
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Roth_MRBUAC_1973_407.cif
_cod_data_source_block           K1.33333Li1.3333O8Ti3.3333
_cod_original_cell_volume        177.1112
_cod_database_code               1537169
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-y+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 0.5 0 0.3333 0.0
Ti1 Ti+4 0 0.2 0.25 0.8333 0.0
O2 O-2 0 0.7 0.25 1 0.0
Li1 Li+1 0 0.5 0 0.3333 0.0
O1 O-2 0 0.9 0.25 1 0.0
