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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=62591
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Title
Site occupation and local vibration of hydrogen isotopes in hexagonal Ti5 Si3 H (D)1-X.
Authors
Kajitani, T.; Kawase, T.; Yamada, K.; Hirabayashi, M.
Reference
Transactions of the Japan Institute of M (1986)
27
, 639-647
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Also:
Monatshefte fuer Chemie (1959)
90
, 15-23
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Compound
Si3 Ti5
- Titanium silicide (5/3)
[
N3O5
] [
hP16
] [
g2 d
] [
]
Cell
7.4610(3), 7.4610(3), 5.1508(1), 90., 90., 120.
P63/MCM (193)
V=248.31
Remarks
R=0.053000 : N P =29-1362 : X
At least one temperature factor missing in the paper.
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.
PDF 29-1362
Cell from 2nd ref. (Nowotny ete al.): 7.448, 5.114, x(Ti1,Si1)=
Atom (site) Oxid.
x, y, z, B, Occupancy
Ti1
(6g)
0
Ti2
(4d)
0
Si1
(6g)
0
0.24
0
0.25
0
1
0.33
0.66
0
0
1
0.60
0
0.25
0
1
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