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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
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Title
Landau free energy and order parameter behaviour of the alpha/beta phase tansition in cristobalite.
Authors
Schmahl, W.W.;Swainson, I.P.;Dove, M.T.;Graeme-Barber, A.
Reference
Zeitschrift fuer Kristallographie (1992)
201
, 125-145
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Compound
O2 Si1
-
[Cristobalite $-beta]
Silicon oxide
[
AX2
] [
cF24
] [
c a
] [
]
Cell
7.12943(1), 7.12943, 7.12943, 90., 90., 90.
FD3-MS (227)
V=362.38
Remarks
R=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
0
0
0
2.96
1
0.12
0.12
0.12
0
1
Atom (site) Oxid.
B11, B22, B33, B12, B13, B23
Si1
(8a)
4
O1
(16c)
-2
0
0
0
0
0
0
9.82
9.82
9.82
-4.1
-4.1
-4.1
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