#------------------------------------------------------------------------------
#$Date: 2017-01-20 01:55:42 +0200 (Fri, 20 Jan 2017) $
#$Revision: 190738 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/50/1545086.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_1545086
loop_
_publ_author_name
'Hamao, N.'
'Kataoka, K.'
'Kijima, N.'
'Akimoto, J.'
_publ_section_title
;
 Synthesis, crystal structure and conductive properties of garnet-type
 lithium ion conductor Al-free Li7-xLa3Zr2-xTaxO12 (0<=x<=0.6)
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              678
_journal_page_last               683
_journal_volume                  124
_journal_year                    2016
_chemical_formula_sum            'La3 Li6.7 O12 Ta0.3 Zr1.7'
_chemical_name_common            'Li6.7La3Zr1.7Ta0.3O12 tetragonal phase'
_space_group_IT_number           142
_space_group_name_H-M_alt        'I 41/a c d'
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.1023(6)
_cell_length_b                   13.1023(6)
_cell_length_c                   12.6896(8)
_cell_volume                     2178.4(2)
_cod_data_source_file            Li6.7La3Zr1.7Ta0.3O12-tetra.cif
_cod_data_source_block           Li6.7La3Zr1.7Ta0.3O12-tetra
_cod_original_formula_sum        'Li6.7 La3 Zr1.7 Ta0.3 O12'
_cod_database_code               1545086
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'
'-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+3/4'
'-y+3/4, x+3/4, -z+1/4'
'-x+1/2, y, -z'
'x+1/2, -y, z'
'x, -y, -z+1/2'
'-x, y, z+1/2'
'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'
'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'
'-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+1/4'
'-y+1/4, x+1/4, -z+3/4'
'-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'
'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'
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
La1 1.0 0.000000 0.250000 0.125000 Uiso 0.003000 La
La2 1.0 0.1277(4) 0.000000 0.250000 Uiso 0.014000 La
Zr 1.0 0.000000 0.000000 0.000000 Uiso 0.013000 Zr
Li1 1.0 0.000000 0.250000 0.375000 Uiso 0.008000 Li
Li2 1.0 0.274(3) 0.524(3) 0.125000 Uiso 0.003000 Li
Li3 1.0 0.135(6) 0.054(4) 0.783(5) Uiso 0.009000 Li
O1 1.0 -0.032(2) 0.056(2) 0.145(2) Uiso 0.003000 O
O2 1.0 0.051(2) 0.854(2) 0.533(2) Uiso 0.006000 O
O3 1.0 0.171(2) 0.045(2) 0.441(2) Uiso 0.005000 O
