Materials Data on K6InP3 by Materials Project
K6InP3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 4-coordinate geometry to one K1+ and four P3- atoms. The K–K bond length is 3.43 Å. There are a spread of K–P bond distances ranging from 3.29–3.68 Å. In the second K1+ site, K1+ is bonded to four P3- atoms to form a mixture of distorted edge and corner-sharing KP4 tetrahedra. There are a spread of K–P bond distances ranging from 3.24–3.46 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to two K1+ and four P3- atoms. The K–K bond length is 3.39 Å. There are a spread of K–P bond distances ranging from 3.33–3.67 Å. In the fourth K1+ site, K1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of K–P bond distances ranging from 3.29–3.60 Å. In the fifth K1+ site, K1+ is bonded to four P3- atoms to form a mixture of distorted edge and corner-sharing KP4 tetrahedra. There are a spread of K–P bond distances ranging from 3.43–3.50 Å. In the sixth K1+ site, K1+ is bonded in a distorted trigonal planar geometry to one K1+ and three P3- atoms. There are a spread of K–P bond distances ranging from 3.35–3.47 Å. In3+ is bonded in a trigonal planar geometry to three P3- atoms. There are a spread of In–P bond distances ranging from 2.55–2.60 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to eight K1+ and one In3+ atom. In the second P3- site, P3- is bonded in a 8-coordinate geometry to seven K1+ and one In3+ atom. In the third P3- site, P3- is bonded in a 9-coordinate geometry to eight K1+ and one In3+ 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:
- 1282599
- Report Number(s):
- mp-675132
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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