Materials Data on In3SnI5 by Materials Project
In3SnI5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent In1+ sites. In the first In1+ site, In1+ is bonded in a 5-coordinate geometry to six I1- atoms. There are a spread of In–I bond distances ranging from 3.47–3.76 Å. In the second In1+ site, In1+ is bonded in a 4-coordinate geometry to four I1- atoms. There are a spread of In–I bond distances ranging from 3.36–3.56 Å. In the third In1+ site, In1+ is bonded in a 6-coordinate geometry to six I1- atoms. There are a spread of In–I bond distances ranging from 3.48–3.71 Å. Sn2+ is bonded to six I1- atoms to form edge-sharing SnI6 octahedra. There are a spread of Sn–I bond distances ranging from 3.08–3.42 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to three In1+ and two equivalent Sn2+ atoms. In the second I1- site, I1- is bonded in a 6-coordinate geometry to five In1+ and one Sn2+ atom. In the third I1- site, I1- is bonded in a 4-coordinate geometry to three In1+ and one Sn2+ atom. In the fourth I1- site, I1- is bonded in a 3-coordinate geometry to two In1+ and one Sn2+ atom. In the fifth I1- site, I1- is bonded in a 4-coordinate geometry to three In1+ and one Sn2+ atom.
- 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:
- 1274461
- Report Number(s):
- mp-568493
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on In3SnI5 by Materials Project
Materials Data on K2Ba3Sb4 by Materials Project