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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
Phase transitions in KTP isostructures: correlation between structure and Tc in germanium-doped Rb Ti O P O4.
Authors
Norberg, S.T.; Gustafsson, J.; Mellander, B.-E.
Reference
IC&volume=59&fpage=588&details=yes target=icsd_help>Acta Crystallographica B (2003)
59
, 588-595
Link
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Compound
O5 P1 Rb1 Ti1
- Rubidium oxotitanium phosphate(V)
[
ABCX5
] [
oP64
] [
a16
] [
]
Cell
12.9625(15), 6.5031(3), 10.5615(3), 90., 90., 90.
PNA21 (33)
V=890.3
Remarks
R=0.024000 :
Atom (site) Oxid.
x, y, z, B, Occupancy
Rb1
(4a)
1
Rb2
(4a)
1
Ti1
(4a)
4
Ti2
(4a)
4
P1
(4a)
5
P2
(4a)
5
O1
(4a)
-2
O2
(4a)
-2
O3
(4a)
-2
O4
(4a)
-2
O5
(4a)
-2
O6
(4a)
-2
O7
(4a)
-2
O8
(4a)
-2
O9
(4a)
-2
O10
(4a)
-2
0.61
0.78
0.70
0.01
1
0.89
0.69
0.95
0.01
1
0.62
0.49
1.02
0.00
1
0.75
0.26
0.77
0.00
1
0.50
0.33
0.76
0.00
1
0.82
0.50
0.51
0.00
1
0.51
0.47
0.88
0.00
1
0.48
0.46
0.64
0.01
1
0.59
0.20
0.74
0.00
1
0.40
0.19
0.78
0.00
1
0.72
0.46
0.88
0.00
1
0.77
0.04
0.63
0.00
1
0.88
0.31
0.48
0.00
1
0.88
0.69
0.54
0.01
1
0.74
0.54
0.39
0.00
1
0.74
0.45
0.62
0.00
1
Atom (site) Oxid.
U11, U22, U33, U12, U13, U23
Rb1
(4a)
1
Rb2
(4a)
1
Ti1
(4a)
4
Ti2
(4a)
4
P1
(4a)
5
P2
(4a)
5
O1
(4a)
-2
O2
(4a)
-2
O3
(4a)
-2
O4
(4a)
-2
O5
(4a)
-2
O6
(4a)
-2
O7
(4a)
-2
O8
(4a)
-2
O9
(4a)
-2
O10
(4a)
-2
0.01
0.00
0.02
-0.0
0.00
-0.0
0.00
0.01
0.02
-0.0
0.00
-0.0
0.00
0.00
0.00
0.00
-0.0
-0.0
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
-0.0
-0.0
0.00
0.00
0.00
0.00
-0.0
0.00
0.00
0.01
0.00
0.00
-0.0
-0.0
0.00
0.01
0.01
-0.0
-0.0
0.00
0.00
0.00
0.00
-0.0
-0.0
0.00
0.00
0.00
0.00
-0.0
0.00
0.00
0.00
0.01
0.00
-0.0
0.00
-0.0
0.00
0.00
0.01
-0.0
0.00
-0.0
0.01
0.00
0.00
0.00
0.00
0.00
0.01
0.00
0.01
-0.0
-0.0
0.00
0.01
0.01
0.00
-0.0
0.00
0.00
0.00
0.01
0.00
0.00
0.00
0.00
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