Materials Data on In4SnSe4 by Materials Project
Sn(InSe)4 is Hittorf-derived structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional and consists of eight 7440-31-5 molecules and one InSe framework. In the InSe framework, there are two inequivalent In+1.50+ sites. In the first In+1.50+ site, In+1.50+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. There are a spread of In–Se bond distances ranging from 2.65–2.72 Å. In the second In+1.50+ site, In+1.50+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All In–Se bond lengths are 2.72 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to three In+1.50+ atoms. In the second Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent In+1.50+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1278937
- Report Number(s):
- mp-628768
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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