Materials Data on KSn2I5 by Materials Project
KSn2I5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten I1- atoms. There are eight shorter (3.86 Å) and two longer (4.01 Å) K–I bond lengths. Sn2+ is bonded in a 4-coordinate geometry to four I1- atoms. There are two shorter (3.01 Å) and two longer (3.32 Å) Sn–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded to two equivalent K1+ and four equivalent Sn2+ atoms to form corner-sharing IK2Sn4 octahedra. The corner-sharing octahedra tilt angles range from 0–32°. In the second I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent K1+ 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:
- 1199573
- Report Number(s):
- mp-23534
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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