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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=75658
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Title
Framework silica structures generated using simulated annealing with a potential energy function based on an H6 Si2 O7 molecule.
Authors
Boisen, M.B.jr.;Gibbs, G.V.;Bukowinski, M.S.T.
Reference
Physics and Chemistry of Minerals (1994)
21
, 269-284
Link
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Compound
O2 Si1
- Silicon dioxide
[
AX2
] [
mS24
] [
c5 b a
] [
]
Cell
6.8513, 7.3761, 6.7085, 90., 101.918, 90.
C121 (5)
V=331.71
Remarks
T
At least one temperature factor missing in the paper.
No R value given in the paper.
Atom (site) Oxid.
x, y, z, B, Occupancy
Si1
(4c)
4
Si2
(4c)
4
O1
(2b)
-2
O2
(2a)
-2
O3
(4c)
-2
O4
(4c)
-2
O5
(4c)
-2
0.01
0
0.23
0
1
0.31
0.87
0.57
0
1
0
0.45
0.5
0
1
0
0.94
0
0
1
0.12
0.18
0.29
0
1
0.13
0.84
0.37
0
1
0.21
0.01
0.72
0
1
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