#------------------------------------------------------------------------------
#$Date: 2019-08-06 07:28:26 +0300 (Tue, 06 Aug 2019) $
#$Revision: 217430 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/21/1552153.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_1552153
loop_
_publ_author_name
'Kataoka, K.'
'Akimoto, J.'
_publ_section_title
;
 Lithium-ion conductivity and crystal structure of garnet-type solid
 electrolyte Li7-xLa3Zr2-xTaxO12 using single-crystal : structure with x =
 0.5
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              521
_journal_page_last               526
_journal_paper_doi               10.2109/jcersj2.19022
_journal_volume                  127
_journal_year                    2019
_chemical_formula_sum            'La3 Li6.5 O12 Ta0.5 Zr1.5'
_chemical_name_common            Li6.5La3Zr1.5Ta0.5O12
_chemical_name_mineral           'garnet like'
_space_group_IT_number           230
_space_group_name_Hall           '-I 4bd 2c 3'
_space_group_name_H-M_alt        'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.9216(6)
_cell_length_b                   12.9216(6)
_cell_length_c                   12.9216(6)
_cell_volume                     2157.49(17)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            Li6.5La3Zr1.5Ta0.5O12.cif
_cod_data_source_block           Li6.5La3Zr1.5Ta0.5O12
_cod_original_formula_sum        'Li6.5 La3 Zr1.5 Ta0.5 O12'
_cod_database_code               1552153
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
3 -x+1/2,-y,z+1/2
4 x+1/2,y,-z+1/2
5 -x,y+1/2,-z+1/2
6 x,-y+1/2,z+1/2
7 x+1/2,-y+1/2,-z
8 -x+1/2,y+1/2,z
9 z,x,y
10 -z,-x,-y
11 z+1/2,-x+1/2,-y
12 -z+1/2,x+1/2,y
13 -z+1/2,-x,y+1/2
14 z+1/2,x,-y+1/2
15 -z,x+1/2,-y+1/2
16 z,-x+1/2,y+1/2
17 y,z,x
18 -y,-z,-x
19 -y,z+1/2,-x+1/2
20 y,-z+1/2,x+1/2
21 y+1/2,-z+1/2,-x
22 -y+1/2,z+1/2,x
23 -y+1/2,-z,x+1/2
24 y+1/2,z,-x+1/2
25 y+3/4,x+1/4,-z+1/4
26 -y+1/4,-x+3/4,z+3/4
27 -y+3/4,-x+3/4,-z+3/4
28 y+1/4,x+1/4,z+1/4
29 y+1/4,-x+1/4,z+3/4
30 -y+3/4,x+3/4,-z+1/4
31 -y+1/4,x+3/4,z+1/4
32 y+3/4,-x+1/4,-z+3/4
33 x+3/4,z+1/4,-y+1/4
34 -x+1/4,-z+3/4,y+3/4
35 -x+1/4,z+3/4,y+1/4
36 x+3/4,-z+1/4,-y+3/4
37 -x+3/4,-z+3/4,-y+3/4
38 x+1/4,z+1/4,y+1/4
39 x+1/4,-z+1/4,y+3/4
40 -x+3/4,z+3/4,-y+1/4
41 z+3/4,y+1/4,-x+1/4
42 -z+1/4,-y+3/4,x+3/4
43 z+1/4,-y+1/4,x+3/4
44 -z+3/4,y+3/4,-x+1/4
45 -z+1/4,y+3/4,x+1/4
46 z+3/4,-y+1/4,-x+3/4
47 -z+3/4,-y+3/4,-x+3/4
48 z+1/4,y+1/4,x+1/4
49 x+1/2,y+1/2,z+1/2
50 -x+1/2,-y+1/2,-z+1/2
51 -x,-y+1/2,z
52 x,y+1/2,-z
53 -x+1/2,y,-z
54 x+1/2,-y,z
55 x,-y,-z+1/2
56 -x,y,z+1/2
57 z+1/2,x+1/2,y+1/2
58 -z+1/2,-x+1/2,-y+1/2
59 z,-x,-y+1/2
60 -z,x,y+1/2
61 -z,-x+1/2,y
62 z,x+1/2,-y
63 -z+1/2,x,-y
64 z+1/2,-x,y
65 y+1/2,z+1/2,x+1/2
66 -y+1/2,-z+1/2,-x+1/2
67 -y+1/2,z,-x
68 y+1/2,-z,x
69 y,-z,-x+1/2
70 -y,z,x+1/2
71 -y,-z+1/2,x
72 y,z+1/2,-x
73 y+1/4,x+3/4,-z+3/4
74 -y+3/4,-x+1/4,z+1/4
75 -y+1/4,-x+1/4,-z+1/4
76 y+3/4,x+3/4,z+3/4
77 y+3/4,-x+3/4,z+1/4
78 -y+1/4,x+1/4,-z+3/4
79 -y+3/4,x+1/4,z+3/4
80 y+1/4,-x+3/4,-z+1/4
81 x+1/4,z+3/4,-y+3/4
82 -x+3/4,-z+1/4,y+1/4
83 -x+3/4,z+1/4,y+3/4
84 x+1/4,-z+3/4,-y+1/4
85 -x+1/4,-z+1/4,-y+1/4
86 x+3/4,z+3/4,y+3/4
87 x+3/4,-z+3/4,y+1/4
88 -x+1/4,z+1/4,-y+3/4
89 z+1/4,y+3/4,-x+3/4
90 -z+3/4,-y+1/4,x+1/4
91 z+3/4,-y+3/4,x+1/4
92 -z+1/4,y+1/4,-x+3/4
93 -z+3/4,y+1/4,x+3/4
94 z+1/4,-y+3/4,-x+1/4
95 -z+1/4,-y+1/4,-x+1/4
96 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
Li1 0.3020 0.654(2) 0.176(3) 0.058(3) Uiso 0.00010(8) Li
Li2 0.9600 0.250000 0.375000 0.000000 Uiso 0.0004(7) Li
La 1.0000 0.250000 0.125000 0.000000 Uiso 0.000121(3) La
ZrTa 0.7500 0.000000 0.000000 0.000000 Uiso 0.000076(1) Zr
TaZr 0.2500 0.000000 0.000000 0.000000 Uiso 0.000076(1) Ta
O 1.0 0.0539(4) 0.1492(4) -0.0315(4) Uiso 0.000151(15) O
