Materials Data on K2P3 by Materials Project
K2P3 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to eight P+0.67- atoms to form a mixture of distorted edge, face, and corner-sharing KP8 hexagonal bipyramids. There are four shorter (3.47 Å) and four longer (3.51 Å) K–P bond lengths. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to ten P+0.67- atoms. There are a spread of K–P bond distances ranging from 3.36–3.46 Å. There are two inequivalent P+0.67- sites. In the first P+0.67- site, P+0.67- is bonded in a 8-coordinate geometry to six K1+ and two P+0.67- atoms. Both P–P bond lengths are 2.17 Å. In the second P+0.67- site, P+0.67- is bonded in a 8-coordinate geometry to six K1+ and two equivalent P+0.67- atoms.
- 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:
- 1307999
- Report Number(s):
- mp-8262
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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