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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/65/1536593.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_1536593
loop_
_publ_author_name
'Piffard, Y.'
'Marchand, R.'
'Tournaux, M.'
_publ_section_title
;
 Structure cristalline de K Ti3 (Sb O9)
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              18
_journal_page_last               24
_journal_volume                  17
_journal_year                    1980
_chemical_formula_sum            'K O9 Sb Ti3'
_chemical_name_systematic        'K Ti3 (Sb O9)'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2c 2bc'
_symmetry_space_group_name_H-M   'P n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.369
_cell_length_b                   3.8063
_cell_length_c                   14.815
_cell_volume                     359.150
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            Piffard_RVCMA8_1980_482.cif
_cod_data_source_block           K1O9Sb1Ti3
_cod_original_cell_volume        359.15
_cod_original_sg_symbol_Hall     '-P 2ab 2a (z,x,y)'
_cod_original_formula_sum        'K1 O9 Sb1 Ti3'
_cod_database_code               1536593
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,z+1/2
-x,-y,-z
-x,y-1/2,z-1/2
x,-y-1/2,z
x,y,-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
O2 O-2 0.2424 0.25 0.59781 1 0.0
O3 O-2 0.4588 0.25 0.14828 1 0.0
Ti2 Ti+4 0.7574 0.25 0.1272 0.527 0.0
Sb2 Sb+5 0.7574 0.25 0.1272 0.473 0.0
O4 O-2 0.0569 0.25 0.092 1 0.0
Ti1 Ti+4 0.30579 0.25 0.04155 0.973 0.0
O1 O-2 0.6552 0.25 0.50815 1 0.0
K1 K+1 0.2216 0.75 0.25 1 0.0
O5 O-2 0.8388 0.25 0.25 1 0.0
Sb1 Sb+5 0.30579 0.25 0.04155 0.027 0.0
