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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/74/1527403.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_1527403
loop_
_publ_author_name
'Gatehouse, B.M.'
'Nesbit, M.C.'
_publ_section_title
;
 Preparation and structure refinement of K Ti3 Ta O9 and K3 Ti Ta7 O21
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               6
_journal_volume                  39
_journal_year                    1981
_chemical_formula_sum            'K3 O21 Ta7 Ti'
_chemical_name_systematic        'K3 Ti Ta7 O21'
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.095
_cell_length_b                   9.095
_cell_length_c                   12.063
_cell_volume                     864.154
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Gatehouse_JSSCBI_1981_1500.cif
_cod_data_source_block           K3O21Ta7Ti1
_cod_original_cell_volume        864.1545
_cod_original_formula_sum        'K3 O21 Ta7 Ti1'
_cod_database_code               1527403
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z
x-y,-y,-z+1/2
x,x-y,-z
y,x,-z+1/2
-x+y,y,-z
-x,-x+y,-z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z
-x+y,y,z-1/2
-x,-x+y,z
-y,-x,z-1/2
x-y,-y,z
x,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
K1 K+1 0.4076 0 0.25 1 0.0
O2 O-2 0 0.2 0.073 1 0.0
Ti1 Ti+4 0.2473 0 0.5959 0.1667 0.0
Ta1 Ta+5 0.2473 0 0.5959 0.8333 0.0
O3 O-2 0.797 0 0.25 1 0.0
Ta2 Ta+5 0.3333 0.6667 0 1 0.0
O1 O-2 0.686 0.169 0.404 1 0.0
