#------------------------------------------------------------------------------
#$Date: 2020-01-11 00:24:55 +0200 (Sat, 11 Jan 2020) $
#$Revision: 246664 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/69/1556982.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_1556982
loop_
_publ_author_name
'Kataoka, K.'
_publ_section_title
;
 Oxide single crystals with high lithium-ion conductivity as solid
 electrolytes for all-solid-state lithium secondary battery applications
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              7
_journal_page_last               18
_journal_paper_doi               10.2109/jcersj2.19094
_journal_volume                  128
_journal_year                    2020
_chemical_formula_sum            'La3 Li6.5 O12 Ta0.5 Zr1.5'
_chemical_name_common            Li6.5La3Zr1.5Ta0.5O12
_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                   12.9445(6)
_cell_length_b                   12.9445(6)
_cell_length_c                   12.9445(6)
_cell_volume                     2168.98(17)
_cod_data_source_file            Li6.5La3Zr1.5Ta0.5O12_N.cif
_cod_data_source_block           Li6.5La3Zr1.5Ta0.5O12
_cod_original_formula_sum        'Li6.5 La3 Zr1.5 Ta0.5 O12'
_cod_database_code               1556982
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
La 1.0 0.250000 0.125000 0.000000 Uiso 0.00497(15) La
ZrTa 0.75 0.000000 0.000000 0.000000 Uiso 0.00319(10) Zr
TaZr 0.25 0.000000 0.000000 0.000000 Uiso 0.00319(10) Ta
Li1 0.104(9) 0.764(5) 0.132(8) 0.00(2) Uiso 0.014(14) Li
Li2 0.422(10) 0.6531(4) 0.1731(5) 0.0617(4) Uiso 0.022(2) Li
O 1.0 0.19666(5) 0.28124(5) 0.10143(6) Uiso 0.00869(16) O
