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ICSD for WWW : Details

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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 Metals (1986) 27, 639-647
Link XRef SCOPUS SCIRUS Google
Also: Monatshefte fuer Chemie (1959) 90, 15-23
Link XRef SCOPUS SCIRUS 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 : NDP PDF =29-1362 : XDP
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)=.240, .615

Atom (site) Oxid. x, y, z, B, Occupancy
Ti1(6g)0
Ti2(4d)0
Si1(6g)0
0.2473(9)00.2501
0.33330.6667001
0.6063(9)00.2501

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