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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=33842 Help
TitleThe crystal structure of rutile as a function of temperature up to 1600 degrees C.
AuthorsSugiyama, K.;Takeuchi, Y.
ReferenceZeitschrift fuer Kristallographie (1991) 194, 305-313
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CompoundO2 Ti1 - [Rutile] Titanium oxide [AX2] [tP6] [f a] [TiO2(tP6)]
Cell4.6344(3), 4.6344(3), 2.9919(2), 90., 90., 90.
P42/MNM (136) V=64.26
RemarksR=0.052500 : T =1333 : =TiO2(tP6) : M =Rutile :

Atom (site) Oxid. x, y, z, B, Occupancy
Ti1(2a)4
O1(4f)-2
00001
0.300.30001
Atom (site) Oxid. Beta11, Beta22, Beta33, Beta12, Beta13, Beta23
Ti1(2a)4
O1(4f)-2
0.020.020.04-.0000
0.020.020.03-.0000

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