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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=62590 Help
TitleSite occupation and local vibration of hydrogen isotopes in hexagonal Ti5 Si3 H (D)1-X.
AuthorsKajitani, T.;Kawase, T.;Yamada, K.;Hirabayashi, M.
ReferenceTransactions of the Japan Institute of M (1986) 27, 639-647
Link XRef SCOPUS Google
CompoundD0.9 Si3 Ti5 - Pentatitanium trisilicon deuteride [NO3P5] [hP18] [g2 d b] []
Cell7.4492(2), 7.4492(2), 5.1682(1), 90., 90., 120.
P63/MCM (193) V=248.36
RemarksR=0.075000 : D N X
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.
At least one temperature factor missing in the paper.

Atom (site) Oxid. x, y, z, B, Occupancy
Ti1(6g)0
Ti2(4d)0
Si1(6g)0
D1(2b)0
0.2400.2501
0.330.66001
0.6000.2501
0001.960.9

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