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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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Title
On the Estimation of Atomic Charges by the X-Ray Method for some Oxides and Silicates.
Authors
Sasaki, S.;Fujino, K.;Takeuchi, Y.;Sadanaga, R.
Reference
IC&volume=36&fpage=904&details=yes target=icsd_help>Acta Crystallographica A (1980)
36
, 904-915
Link
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Compound
Mg1 O3 Si1
-
[Enstatite]
Magnesium catena-silicate
[
ABX3
] [
oP80
] [
c10
] [
]
Cell
18.2270(40), 8.819(2), 5.179(1), 90., 90., 90.
PBCA (61)
V=832.49
Remarks
R=0.023400 : M =Enstatite : P =19-768 :
Temperature factors uncertain
Atom (site) Oxid.
x, y, z, B, Occupancy
Mg1
(8c)
2
Mg2
(8c)
2
Si1
(8c)
4
Si2
(8c)
4
O1
(8c)
-2
O2
(8c)
-2
O3
(8c)
-2
O4
(8c)
-2
O5
(8c)
-2
O6
(8c)
-2
0.37
0.65
0.86
0
1
0.37
0.48
0.35
0
1
0.27
0.34
0.05
0
1
0.46
0.33
0.79
0
1
0.18
0.34
0.03
0
1
0.56
0.34
0.80
0
1
0.31
0.50
0.04
0
1
0.43
0.48
0.68
0
1
0.30
0.22
-.16
0
1
0.44
0.19
0.60
0
1
Atom (site) Oxid.
Beta11, Beta22, Beta33, Beta12, Beta13, Beta23
Mg1
(8c)
2
Mg2
(8c)
2
Si1
(8c)
4
Si2
(8c)
4
O1
(8c)
-2
O2
(8c)
-2
O3
(8c)
-2
O4
(8c)
-2
O5
(8c)
-2
O6
(8c)
-2
0.00
0.01
0.03
0.00
-.00
0.00
0.00
0.01
0.04
-.00
-.00
0.00
0.00
0.01
0.02
-.00
0.00
-.00
0.00
0.01
0.02
0.00
-.00
0.00
0.00
0.01
0.03
0.00
0.00
-.00
0.00
0.01
0.04
-.00
-.00
0.00
0.00
0.01
0.04
-.00
-.00
0.00
0.00
0.01
0.04
0.00
-.00
0.00
0.00
0.02
0.03
0.00
-.00
-.00
0.00
0.01
0.03
-.00
0.00
-.00
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