Materials Data on K2SnHCl4 by Materials Project
(K2SnCl4)2H2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four hydrogen molecules and one K2SnCl4 framework. In the K2SnCl4 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.12–3.41 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.18–3.62 Å. Sn3+ is bonded to six Cl1- atoms to form edge-sharing SnCl6 octahedra. There are a spread of Sn–Cl bond distances ranging from 2.82–2.94 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to three K1+ and two equivalent Sn3+ atoms to form distorted ClK3Sn2 trigonal bipyramids that share corners with four equivalent ClK4Sn square pyramids, corners with four equivalent ClK3Sn2 trigonal bipyramids, and edges with six equivalent ClK4Sn square pyramids. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Sn3+ atoms. In the third Cl1- site, Cl1- is bonded to four K1+ and one Sn3+ atom to form ClK4Sn square pyramids that share corners with five equivalent ClK4Sn square pyramids, corners with two equivalent ClK3Sn2 trigonal bipyramids, edges with four equivalent ClK4Sn square pyramids, and edges with three equivalent ClK3Sn2 trigonal bipyramids.
- 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:
- 1711587
- Report Number(s):
- mp-1211894
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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