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#$Date: 2015-07-11 16:55:21 +0300 (Sat, 11 Jul 2015) $
#$Revision: 145078 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/43/1524338.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_1524338
loop_
_publ_author_name
'Fallon, G.D.'
'Gatehouse, B.M.'
'Roth, R.S.'
'Roth, S.A.'
_publ_section_title
;
 Crystal structures of some niobium and tantalum oxides, part VI. The
 structure of H-Li Ta3 O8
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              255
_journal_page_last               259
_journal_volume                  27
_journal_year                    1979
_chemical_formula_sum            'O8 Ta3'
_chemical_name_systematic        'Li (Ta3 O8)'
_space_group_IT_number           51
_symmetry_space_group_name_Hall  '-P 2a 2a'
_symmetry_space_group_name_H-M   'P m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.702
_cell_length_b                   3.84
_cell_length_c                   8.929
_cell_volume                     572.667
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Fallon_JSSCBI_1979_553.cif
_cod_data_source_block           O8Ta3
_cod_original_cell_volume        572.6675
_cod_database_code               1524338
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z
x+1/2,-y,-z
-x,y,-z
-x,-y,-z
x-1/2,y,-z
-x-1/2,y,z
x,-y,z
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
O8 O-2 0 0 0 1 0.0
O9 O-2 0.054 0.5 0.827 1 0.0
O3 O-2 0.178 0 0.882 1 0.0
Ta1 Ta+5 0.25 0 0.6872 1 0.0
O4 O-2 0.161 0 0.186 1 0.0
Ta3 Ta+5 0.0601 0 0.8113 1 0.0
O7 O-2 0.121 0.5 0.407 1 0.0
O6 O-2 0.018 0 0.343 1 0.0
O5 O-2 0.25 0.5 0.692 1 0.0
Ta4 Ta+5 0.25 0 0.054 1 0.0
O2 O-2 0.131 0 0.62 1 0.0
O1 O-2 0.25 0 0.447 1 0.0
O10 O-2 0.25 0.5 0.069 1 0.0
Ta2 Ta+5 0.1323 0 0.3927 1 0.0
