#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/45/1534591.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_1534591
loop_
_publ_author_name
'Lin, Z.'
'Ferreira, A.'
'Rocha, J.'
_publ_section_title
;
 Synthesis and structural characterization of novel tin and titanium
 potassium silicates K4 M2 Si6 O18
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              258
_journal_page_last               263
_journal_volume                  175
_journal_year                    2003
_chemical_formula_sum            'K2 O9 Si3 Ti'
_chemical_name_systematic        'K2 (Ti Si3 O9)'
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   10.0124
_cell_length_b                   10.0124
_cell_length_c                   14.8413
_cell_volume                     1288.484
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Lin_JSSCBI_2003_924.cif
_cod_data_source_block           K2O9Si3Ti1
_cod_original_formula_sum        'K2 O9 Si3 Ti1'
_cod_database_code               1534591
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
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 0.4798 0.241 0.1496 1 0.0
Si1 Si+4 0.34491 0.06912 0.16691 1 0.0
K1 K+1 0.3333 0.6667 0.16069 1 0.0
O3 O-2 0.5575 0.4095 -0.0037 1 0.0
O1 O-2 0.1192 0.1736 0.3034 1 0.0
Ti1 Ti+4 0.6667 0.3333 0.07397 1 0.0
Si2 Si+4 0.01694 0.45385 0.00096 1 0.0
Ti2 Ti+4 0 0 0.22278 1 0.0
O5 O-2 0.3511 0.0225 0.2681 1 0.0
O6 O-2 0.1793 0.0448 0.1494 1 0.0
O4 O-2 0.054 0.4206 0.1011 1 0.0
K2 K+1 0.43917 0.33446 0.33052 1 0.0
