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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=63227
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Title
Identification of Predominant Point Defects in Nonstoichiometric Cu In Se2 by X-Ray Powder Diffraction.
Authors
Zahn, G.;Paufler, P.
Reference
IC&volume=23&fpage=499&details=yes target=icsd_help>Crystal Research and Technology (1988)
23
, 499-507
Link
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Compound
Cu0.947 In1 Se2
- Copper indium selenide (.9/1/2)
[
ABX2
] [
tI16
] [
d b a
] [
CuFeS2
]
Cell
5.783(1), 5.783(1), 11.611(6), 90., 90., 90.
I4-2D (122)
V=388.31
Remarks
R=0.059500 : T =300 : =CuFeS2 : X D
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.
Atom (site) Oxid.
x, y, z, B, Occupancy
Cu1
(4a)
1.06
In1
(4b)
3
In2
(4a)
3
Se1
(8d)
-2
0
0
0
1.33
0.94
0
0
0.5
2.28
0.94
0
0
0
2.28
0.05
0.22
0.25
0.12
1.46
0.99
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