#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/15/1531568.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_1531568
loop_
_publ_author_name
'Kopnin, E.M.'
'Sato, A.'
'Takayama-Muromachi, E.'
_publ_section_title
;
 High-pressure synthesis and structure refinement of Li Ti Si2 O6
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              L16
_journal_page_last               L19
_journal_volume                  354
_journal_year                    2003
_chemical_formula_sum            'Li O6 Si2 Ti'
_chemical_name_systematic        'Li Ti (Si2 O6)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.824
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.6913
_cell_length_b                   8.7438
_cell_length_c                   5.3175
_cell_volume                     423.896
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Kopnin_JALCEU_2003_1421.cif
_cod_data_source_block           Li1O6Si2Ti1
_cod_original_cell_volume        423.8955
_cod_original_formula_sum        'Li1 O6 Si2 Ti1'
_cod_database_code               1531568
loop_
_symmetry_equiv_pos_as_xyz
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
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
Si1 Si+4 0.298 0.08878 0.2715 1 0.0
O1 O-2 0.1186 0.0845 0.1567 1 0.0
O2 O-2 0.3693 0.2555 0.328 1 0.0
Ti1 Ti+3 0 0.90246 0.25 1 0.0
O3 O-2 0.3554 -0.0009 0.0584 1 0.0
Li1 Li+1 0 0.264 0.25 1 0.0
