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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=77459 Help
TitleLandau free energy and order parameter behaviour of the alpha/beta phase tansition in cristobalite.
AuthorsSchmahl, W.W.;Swainson, I.P.;Dove, M.T.;Graeme-Barber, A.
ReferenceZeitschrift fuer Kristallographie (1992) 201, 125-145
Link XRef SCOPUS Google
CompoundO2 Si1 - [Cristobalite $-beta] Silicon oxide [AX2] [cF24] [c a] []
Cell7.12943(1), 7.12943, 7.12943, 90., 90., 90.
FD3-MS (227) V=362.38
RemarksR=0.011000 : M =Cristobalite $-beta : N T =623 :
Mean Si-O: 1.544, for disordered model cp. 77462
Cell at 596 K: 7.1294, at 612 K: 7.1300

Atom (site) Oxid. x, y, z, B, Occupancy
Si1(8a)4
O1(16c)-2
0002.961
0.120.120.1201
Atom (site) Oxid. B11, B22, B33, B12, B13, B23
Si1(8a)4
O1(16c)-2
000000
9.829.829.82-4.1-4.1-4.1

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