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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=93550 Help
TitleElectron density distribution in stishovite, Si O2: a new high-energy synchrotron-radiation study.
AuthorsKirfel, A.;Krane, H.-G.;Blaha, P.;Schwarz, K.;Lippmann, T.
ReferenceIC&volume=57&fpage=663&details=yes target=icsd_help>Acta Crystallographica A (2001) 57, 663-677
Link XRef SCOPUS Google
CompoundO2 Si1 - [Stishovite] Silicon oxide [AX2] [tP6] [f a] [TiO2(tP6)]
Cell4.173(9), 4.173(9), 2.657(4), 90, 90, 90
P42/MNM (136) V=46.27
RemarksR=0.005000 : M =Stishovite : T =TiO2(tP6) : E

Atom (site) Oxid. x, y, z, B, Occupancy
Si1(2a)4
O1(4f)-2
0.0.0.01
0.300.300.01
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Si1(2a)4
O1(4f)-2
0.000.000.000.000.0.
0.000.000.00-0.00.0.

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