#------------------------------------------------------------------------------
#$Date: 2017-04-10 12:10:30 +0300 (Mon, 10 Apr 2017) $
#$Revision: 195302 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/57/1545716.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_1545716
loop_
_publ_author_name
'Hamao, N.'
'Kataoka, K.'
'Akimoto, J.'
_publ_section_title
;
 Li-ion conductivity and crystal structure of garnet-type
 Li6.5La3M1.5Ta0.5O12 (M=Hf,Sn) oxides
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              272
_journal_page_last               275
_journal_volume                  125
_journal_year                    2017
_chemical_formula_sum            'Hf1.5 La3 Li6.5 O12 Ta0.5'
_chemical_name_common            Li6.5La3Hf1.5Ta0.5O12
_space_group_IT_number           230
_space_group_name_H-M_alt        'I a -3 d'
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.93341(9)
_cell_length_b                   12.93341(9)
_cell_length_c                   12.93341(9)
_cell_volume                     2163.41(3)
_cod_data_source_file            Li6.5La3Hf1.5Ta0.5O12.cif
_cod_data_source_block           Li6.5La3Hf1.5Ta0.5O12
_cod_original_formula_sum        'Li6.5 La3 Hf1.5 Ta0.5 O12'
_cod_database_code               1545716
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x+1/2, -y, z+1/2'
'x+1/2, y, -z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, z'
'z, x, y'
'-z, -x, -y'
'z+1/2, -x+1/2, -y'
'-z+1/2, x+1/2, y'
'-z+1/2, -x, y+1/2'
'z+1/2, x, -y+1/2'
'-z, x+1/2, -y+1/2'
'z, -x+1/2, y+1/2'
'y, z, x'
'-y, -z, -x'
'-y, z+1/2, -x+1/2'
'y, -z+1/2, x+1/2'
'y+1/2, -z+1/2, -x'
'-y+1/2, z+1/2, x'
'-y+1/2, -z, x+1/2'
'y+1/2, z, -x+1/2'
'y+3/4, x+1/4, -z+1/4'
'-y+1/4, -x+3/4, z+3/4'
'-y+3/4, -x+3/4, -z+3/4'
'y+1/4, x+1/4, z+1/4'
'y+1/4, -x+1/4, z+3/4'
'-y+3/4, x+3/4, -z+1/4'
'-y+1/4, x+3/4, z+1/4'
'y+3/4, -x+1/4, -z+3/4'
'x+3/4, z+1/4, -y+1/4'
'-x+1/4, -z+3/4, y+3/4'
'-x+1/4, z+3/4, y+1/4'
'x+3/4, -z+1/4, -y+3/4'
'-x+3/4, -z+3/4, -y+3/4'
'x+1/4, z+1/4, y+1/4'
'x+1/4, -z+1/4, y+3/4'
'-x+3/4, z+3/4, -y+1/4'
'z+3/4, y+1/4, -x+1/4'
'-z+1/4, -y+3/4, x+3/4'
'z+1/4, -y+1/4, x+3/4'
'-z+3/4, y+3/4, -x+1/4'
'-z+1/4, y+3/4, x+1/4'
'z+3/4, -y+1/4, -x+3/4'
'-z+3/4, -y+3/4, -x+3/4'
'z+1/4, y+1/4, x+1/4'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, -z+1/2'
'-x, -y+1/2, z'
'x, y+1/2, -z'
'-x+1/2, y, -z'
'x+1/2, -y, z'
'x, -y, -z+1/2'
'-x, y, z+1/2'
'z+1/2, x+1/2, y+1/2'
'-z+1/2, -x+1/2, -y+1/2'
'z, -x, -y+1/2'
'-z, x, y+1/2'
'-z, -x+1/2, y'
'z, x+1/2, -y'
'-z+1/2, x, -y'
'z+1/2, -x, y'
'y+1/2, z+1/2, x+1/2'
'-y+1/2, -z+1/2, -x+1/2'
'-y+1/2, z, -x'
'y+1/2, -z, x'
'y, -z, -x+1/2'
'-y, z, x+1/2'
'-y, -z+1/2, x'
'y, z+1/2, -x'
'y+1/4, x+3/4, -z+3/4'
'-y+3/4, -x+1/4, z+1/4'
'-y+1/4, -x+1/4, -z+1/4'
'y+3/4, x+3/4, z+3/4'
'y+3/4, -x+3/4, z+1/4'
'-y+1/4, x+1/4, -z+3/4'
'-y+3/4, x+1/4, z+3/4'
'y+1/4, -x+3/4, -z+1/4'
'x+1/4, z+3/4, -y+3/4'
'-x+3/4, -z+1/4, y+1/4'
'-x+3/4, z+1/4, y+3/4'
'x+1/4, -z+3/4, -y+1/4'
'-x+1/4, -z+1/4, -y+1/4'
'x+3/4, z+3/4, y+3/4'
'x+3/4, -z+3/4, y+1/4'
'-x+1/4, z+1/4, -y+3/4'
'z+1/4, y+3/4, -x+3/4'
'-z+3/4, -y+1/4, x+1/4'
'z+3/4, -y+3/4, x+1/4'
'-z+1/4, y+1/4, -x+3/4'
'-z+3/4, y+1/4, x+3/4'
'z+1/4, -y+3/4, -x+1/4'
'-z+1/4, -y+1/4, -x+1/4'
'z+3/4, y+3/4, x+3/4'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
La 1.0 0.125000 0.000000 0.250000 Uiso 0.004000 La
HfTa 0.7500 0.000000 0.000000 0.000000 Uiso 0.003500 Hf
HfTa 0.2500 0.000000 0.000000 0.000000 Uiso 0.003500 Ta
Li1 0.5900 0.375000 0.000000 0.250000 Uiso 0.070000 Li
Li2 0.3900 -0.063(2) 0.637(3) 0.647(3) Uiso 0.050000 Li
O 1.0 -0.0328(2) 0.0532(4) 0.1496(4) Uiso 0.001000 O
