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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/1/53/71/1537145.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_1537145
loop_
_publ_author_name
'Zocchi, M.'
'Gatti, M.'
'Santoro, A.'
'Roth, R.S.'
_publ_section_title
;
 Neutron and x-ray diffraction study on polymorphism in lithium
 orthotantalate, Li3 Ta O4
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              420
_journal_page_last               430
_journal_volume                  48
_journal_year                    1983
_chemical_formula_sum            'Li3 O4 Ta'
_chemical_name_systematic        'Li3 (Ta O4)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.05
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.5
_cell_length_b                   8.5
_cell_length_c                   9.344
_cell_volume                     601.254
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Zocchi_JSSCBI_1983_211.cif
_cod_data_source_block           Li3O4Ta1
_cod_original_cell_volume        601.2543
_cod_original_formula_sum        'Li3 O4 Ta1'
_cod_database_code               1537145
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-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
Ta1 Ta+5 0.075 -0.126 0.123 1 0.0
Li2 Li+1 0.567 -0.132 0.107 1 0.0
Li1 Li+1 0.329 -0.116 0.607 1 0.0
O2 O-2 0.438 -0.128 0.887 1 0.0
Li3 Li+1 0.817 -0.12 0.622 1 0.0
O3 O-2 0.693 -0.118 0.371 1 0.0
O4 O-2 0.941 -0.106 0.886 1 0.0
O1 O-2 0.158 -0.125 0.358 1 0.0
