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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 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
Also: Monatshefte fuer Chemie (1959) 90, 15-23
Link XRef SCOPUS Google
CompoundSi3 Ti5 - Titanium silicide (5/3) [N3O5] [hP16] [g2 d] []
Cell7.4610(3), 7.4610(3), 5.1508(1), 90., 90., 120.
P63/MCM (193) V=248.31
RemarksR=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
0.2400.2501
0.330.66001
0.6000.2501

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