Materials Data on K6InTe4Cl by Materials Project
K6InTe4Cl crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to four Te2- and two equivalent Cl1- atoms. There are a spread of K–Te bond distances ranging from 3.52–4.17 Å. There are one shorter (3.16 Å) and one longer (3.25 Å) K–Cl bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.60–4.20 Å. In3+ is bonded in a tetrahedral geometry to four Te2- atoms. There are three shorter (2.82 Å) and one longer (2.83 Å) In–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to seven K1+ and one In3+ atom. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to nine K1+ and one In3+ atom. Cl1- is bonded to six equivalent K1+ atoms to form face-sharing ClK6 octahedra.
- 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:
- 1274805
- Report Number(s):
- mp-568916
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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