Materials Data on CoP3 by Materials Project
CoP3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Co1+ is bonded to six equivalent P+0.33- atoms to form CoP6 octahedra that share corners with six equivalent CoP6 octahedra and corners with twelve equivalent PCo2P2 tetrahedra. The corner-sharing octahedral tilt angles are 59°. All Co–P bond lengths are 2.22 Å. P+0.33- is bonded to two equivalent Co1+ and two equivalent P+0.33- atoms to form distorted PCo2P2 tetrahedra that share corners with four equivalent CoP6 octahedra, corners with ten equivalent PCo2P2 tetrahedra, and an edgeedge with one PCo2P2 tetrahedra. The corner-sharing octahedra tilt angles range from 69–70°. There are one shorter (2.26 Å) and one longer (2.35 Å) P–P bond lengths.
- 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:
- 1194452
- Report Number(s):
- mp-1944
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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