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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=50984 Help
TitlePhase transitions of Ti3 O5.
AuthorsOnoda, M.
ReferenceIC&volume=136&fpage=67&details=yes target=icsd_help>Journal of Solid State Chemistry (1998) 136, 67-73
Link XRef SCOPUS Google
Also: Phase Transition (1992) 38, 127-220
Link XRef SCOPUS Google
CompoundO5 Ti3 - Dititanium(III) titanium oxide [A3X5] [oS32] [f3 c2] []
Cell3.798(2), 9.846(3), 9.988(4), 90., 90., 90.
CMCM (63) V=373.5
RemarksR=0.038000 : P =27-1318 : T =514 :
PDF 27-1318
Stable above 450 K (2nd ref., Tomaszewski), below C2/m

Atom (site) Oxid. x, y, z, B, Occupancy
Ti1(8f)3.33
Ti2(4c)3.33
O1(8f)-2
O2(8f)-2
O3(4c)-2
00.630.5501
00.690.2501
00.180.5601
00.540.3701
00.730.7501
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ti1(8f)3.33
Ti2(4c)3.33
O1(8f)-2
O2(8f)-2
O3(4c)-2
0.000.000.0100.000
0.000.000.00000
0.000.010.010-.000
0.020.010.0100.000
0.000.010.00000

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