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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/1/53/41/1534191.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_1534191
loop_
_publ_author_name
'Awadalla, A.A.'
'Gatehouse, B.M.'
_publ_section_title
;
 Crystal structure of some niobium and tantalum oxides. IV. The structure
 of K Ta5 O13 and its relationship to the alpha Pb O2 structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              183
_journal_page_last               187
_journal_volume                  24
_journal_year                    1978
_chemical_formula_sum            'K O13 Ta5'
_chemical_name_systematic        'K (Ta5 O13)'
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.653
_cell_length_b                   10.708
_cell_length_c                   16.799
_cell_volume                     1016.883
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Awadalla_JSSCBI_1978_144.cif
_cod_data_source_block           K1O13Ta5
_cod_original_formula_sum        'K1 O13 Ta5'
_cod_database_code               1534191
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y-1/2,z
x,-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
O4 O-2 0.369 0.346 0.25 1 0.0
O3 O-2 0.124 0.604 -0.004 1 0.0
O6 O-2 0.408 -0.004 0.136 1 0.0
Ta3 Ta+5 0.3349 0.75 0 1 0.0
O1 O-2 0.09 0.484 0.138 1 0.0
K1 K+1 0.2056 0.6744 0.25 1 0.0
Ta2 Ta+5 0.3431 0.3659 0.137 1 0.0
Ta1 Ta+5 0.1615 0.0622 0.0765 1 0.0
O2 O-2 0.127 0.218 0.126 1 0.0
O7 O-2 0.394 0.749 0.111 1 0.0
O5 O-2 0.366 0.373 0.012 1 0.0
