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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 Help
TitleIdentification of Predominant Point Defects in Nonstoichiometric Cu In Se2 by X-Ray Powder Diffraction.
AuthorsZahn, G.;Paufler, P.
ReferenceIC&volume=23&fpage=499&details=yes target=icsd_help>Crystal Research and Technology (1988) 23, 499-507
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CompoundCu0.947 In1 Se2 - Copper indium selenide (.9/1/2) [ABX2] [tI16] [d b a] [CuFeS2]
Cell5.783(1), 5.783(1), 11.611(6), 90., 90., 90.
I4-2D (122) V=388.31
RemarksR=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
0001.330.94
000.52.280.94
0002.280.05
0.220.250.121.460.99

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