In:
Japanese Journal of Applied Physics, IOP Publishing, Vol. 36, No. 11B ( 1997-11-01), p. L1494-
Abstract:
The crystal structure of CuIn 3 Se 5 is investigated by complementary use of electron and X-ray diffractions. The lattice parameters are a =5.7539(3) and c =11.519(1) Å and the space group is uniquely determined to be I 42 m . The crystal is not constructed of a rigid unit cell but by three kinds of local Se tetrahedrons, such as CuIn 2 Se 4 , CuIn 3 Se 4 and In 3 Se 4 , which minimize the numbers of electron excess and deficient bonds. The average unit cell is represented by Cu 0.8 In 0.4 In 2 Se 4 , where Se and some In atoms fully occupy the 8 i site with x ≈1/4 and z ≈1/8, and the 4 d site, respectively, and Cu and the remaining In atoms partially occupy 2 a and 2 b sites, respectively. Since the space group I 42 m is not a subgroup of I 42 d which is the space group of CuInSe 2 , CuIn 3 Se 5 is not related to CuInSe 2 from the viewpoint of crystal symmetry. It is neither a vacancy ordered compound nor of a defect chalcopyrite structure.
Type of Medium:
Online Resource
ISSN:
0021-4922
,
1347-4065
DOI:
10.1143/JJAP.36.L1494
Language:
Unknown
Publisher:
IOP Publishing
Publication Date:
1997
detail.hit.zdb_id:
218223-3
detail.hit.zdb_id:
797294-5
detail.hit.zdb_id:
2006801-3
detail.hit.zdb_id:
797295-7
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