Materials Data on CoAs3 by Materials Project
CoAs3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Co1+ is bonded to six equivalent As+0.33- atoms to form corner-sharing CoAs6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Co–As bond lengths are 2.35 Å. As+0.33- is bonded in a distorted bent 120 degrees geometry to two equivalent Co1+ and two equivalent As+0.33- atoms. There are one shorter (2.51 Å) and one longer (2.63 Å) As–As bond lengths.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1208226
- Report Number(s):
- mp-452
- Country of Publication:
- United States
- Language:
- English
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