Materials Data on CsSn2Cl5 by Materials Project
CsSn2Cl5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are eight shorter (3.66 Å) and two longer (3.88 Å) Cs–Cl bond lengths. Sn2+ is bonded in a 4-coordinate geometry to four Cl1- atoms. There are two shorter (2.60 Å) and two longer (3.02 Å) Sn–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to two equivalent Cs1+ and four equivalent Sn2+ atoms to form distorted corner-sharing ClCs2Sn4 octahedra. The corner-sharing octahedra tilt angles range from 0–31°. In the second Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs1+ 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:
- 1204581
- Report Number(s):
- mp-30164
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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