Materials Data on Li2CeP2 by Materials Project
Li2CeP2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent P3- atoms to form LiP4 tetrahedra that share corners with six equivalent CeP6 octahedra, corners with six equivalent LiP4 tetrahedra, edges with three equivalent CeP6 octahedra, and edges with three equivalent LiP4 tetrahedra. The corner-sharing octahedra tilt angles range from 10–57°. There are three shorter (2.59 Å) and one longer (2.60 Å) Li–P bond lengths. Ce4+ is bonded to six equivalent P3- atoms to form CeP6 octahedra that share corners with twelve equivalent LiP4 tetrahedra, edges with six equivalent CeP6 octahedra, and edges with six equivalent LiP4 tetrahedra. All Ce–P bond lengths are 2.85 Å. P3- is bonded to four equivalent Li1+ and three equivalent Ce4+ atoms to form a mixture of distorted edge and corner-sharing PLi4Ce3 pentagonal 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:
- 1316973
- Report Number(s):
- mp-9912
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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