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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
Title	Electron density distribution in stishovite, Si O2: a new high-energy synchrotron-radiation study.
Authors	Kirfel, A.;Krane, H.-G.;Blaha, P.;Schwarz, K.;Lippmann, T.
Reference	IC&volume=57&fpage=663&details=yes target=icsd_help>Acta Crystallographica A (2001) 57, 663-677 Link XRef SCOPUS Google
Compound	O2 Si1 - [Stishovite] Silicon oxide [AX2] [tP6] [f a] [TiO2(tP6)]
Cell	4.173(9), 4.173(9), 2.657(4), 90, 90, 90 P42/MNM (136) V=46.27
Remarks	R=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.	0	1
0.30	0.30	0.	0	1

Atom (site) Oxid.

U11, U22, U33, U12, U13, U23

Si1	(2a)	4
O1	(4f)	-2

0.00	0.00	0.00	0.00	0.	0.
0.00	0.00	0.00	-0.0	0.	0.

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