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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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Title
Perovskite-related La Ti O3.41.
Authors
Daniels, P.;Lichtenberg, F.;van Smaalen, S.
Reference
IC&volume=59&fpage=15&details=yes target=icsd_help>Acta Crystallographica C (2003)
59
, 15-17
Link
XRef
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Compound
La5 O17 Ti5
- Lanthanum titanium oxide (5/5/17)
[
A5B5X17
] [
mP108
] [
e26 b a
] [
]
Cell
7.8580(11), 5.5281(9), 31.449(5), 90., 97.166(16), 90.
P121/C1 (14)
V=1355.47
Remarks
R=0.039000 : M
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.
Atom (site) Oxid.
x, y, z, B, Occupancy
La1
(4e)
3
La2
(4e)
3
La3
(4e)
3
La4
(4e)
3
La5
(4e)
3
Ti1
(2b)
3.8
Ti2
(2a)
3.8
Ti3
(4e)
3.8
Ti4
(4e)
3.8
Ti5
(4e)
3.8
Ti6
(4e)
3.8
O1
(4e)
-2
O2
(4e)
-2
O3
(4e)
-2
O4
(4e)
-2
O5
(4e)
-2
O6
(4e)
-2
O7
(4e)
-2
O8
(4e)
-2
O9
(4e)
-2
O10
(4e)
-2
O11
(4e)
-2
O12
(4e)
-2
O13
(4e)
-2
O14
(4e)
-2
O15
(4e)
-2
O16
(4e)
-2
O17
(4e)
-2
0.25
0.00
0.50
0.00
1
0.29
-.00
0.09
0.00
1
0.79
0.00
0.08
0.00
1
-.35
0.04
0.29
0.00
1
0.14
0.08
0.28
0.00
1
0.5
0
0
0.00
1
0
0
0
0.00
1
0.54
0.50
0.09
0.00
1
0.04
0.50
0.09
0.00
1
0.08
0.03
0.17
0.00
1
0.59
0.03
0.17
0.00
1
0.55
0.28
0.03
0.00
1
-.01
0.27
0.03
0.00
1
0.50
0.77
0.05
0.00
1
0.04
0.77
0.04
0.00
1
0.09
0.29
0.21
0.00
1
0.62
0.31
0.20
0.01
1
0.12
0.81
0.22
0.00
1
0.60
0.82
0.22
0.00
1
0.04
0.19
0.12
0.00
1
0.57
0.19
0.12
0.00
1
0.33
0.07
0.17
0.00
1
0.83
-.03
0.16
0.00
1
0.11
0.71
0.13
0.00
1
0.52
0.70
0.13
0.00
1
0.79
0.54
0.08
0.00
1
0.29
0.44
0.08
0.00
1
0.74
0.94
-.00
0.00
1
Atom (site) Oxid.
U11, U22, U33, U12, U13, U23
La1
(4e)
3
La2
(4e)
3
La3
(4e)
3
La4
(4e)
3
La5
(4e)
3
Ti1
(2b)
3.8
Ti2
(2a)
3.8
Ti3
(4e)
3.8
Ti4
(4e)
3.8
Ti5
(4e)
3.8
Ti6
(4e)
3.8
O1
(4e)
-2
O2
(4e)
-2
O3
(4e)
-2
O4
(4e)
-2
O5
(4e)
-2
O6
(4e)
-2
O7
(4e)
-2
O8
(4e)
-2
O9
(4e)
-2
O10
(4e)
-2
O11
(4e)
-2
O12
(4e)
-2
O13
(4e)
-2
O14
(4e)
-2
O15
(4e)
-2
O16
(4e)
-2
O17
(4e)
-2
0.00
0.00
0.00
-0.0
0.00
-0.0
0.00
0.00
0.00
-0.0
0.00
-0.0
0.00
0.00
0.00
-0.0
0.00
-0.0
0.00
0.00
0.01
-0.0
0.00
-0.0
0.00
0.00
0.01
-0.0
0.00
-0.0
0.00
0.00
0.00
-0.0
0.00
0.00
0.00
0.00
0.00
-0.0
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
-0.0
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
-0.0
0.00
-0.0
0.00
0.00
0.00
-0.0
0.00
-0.0
0.01
0.00
0.00
0.00
0.00
-0.0
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.01
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
-0.0
0.00
0.00
0.01
-0.0
-0.0
-0.0
0.00
0.00
0.00
-0.0
0.00
-0.0
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
-0.0
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.01
0.00
-0.0
-0.0
-0.0
0.00
0.01
0.00
0.00
0.00
0.00
0.01
0.00
0.00
-0.0
0.00
-0.0
0.01
0.00
0.00
0.00
0.00
-0.0
0.00
0.00
0.01
-0.0
0.00
0.00
0.00
0.00
0.00
-0.0
0.00
-0.0
0.00
0.00
0.01
-0.0
0.00
-0.0
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