Materials Data on Ce6P17Pd6 by Materials Project
Ce6Pd6P17 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ce+3.17+ is bonded in a 7-coordinate geometry to seven P+2.06- atoms. There are a spread of Ce–P bond distances ranging from 2.92–3.17 Å. Pd+2.67+ is bonded in a square co-planar geometry to four equivalent P+2.06- atoms. All Pd–P bond lengths are 2.36 Å. There are three inequivalent P+2.06- sites. In the first P+2.06- site, P+2.06- is bonded in a 5-coordinate geometry to two equivalent Ce+3.17+, two equivalent Pd+2.67+, and one P+2.06- atom. The P–P bond length is 2.22 Å. In the second P+2.06- site, P+2.06- is bonded to three equivalent Ce+3.17+ and three equivalent P+2.06- atoms to form distorted PCe3P3 pentagonal pyramids that share corners with three equivalent PCe3P3 pentagonal pyramids and a faceface with one PCe6 octahedra. In the third P+2.06- site, P+2.06- is bonded to six equivalent Ce+3.17+ atoms to form face-sharing PCe6 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:
- 1262052
- Report Number(s):
- mp-504776
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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