Materials Data on As2Rh by Materials Project
RhAs2 is Pyrite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rh4+ is bonded to six As2- atoms to form RhAs6 octahedra that share corners with eight equivalent RhAs6 octahedra, corners with six AsAsRh3 tetrahedra, and edges with two equivalent RhAs6 octahedra. The corner-sharing octahedra tilt angles range from 53–60°. There are a spread of Rh–As bond distances ranging from 2.45–2.54 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded to three equivalent Rh4+ and one As2- atom to form distorted AsAsRh3 tetrahedra that share corners with three equivalent RhAs6 octahedra, corners with thirteen AsAsRh3 tetrahedra, and an edgeedge with one AsAsRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 73–78°. The As–As bond length is 2.50 Å. In the second As2- site, As2- is bonded to three equivalent Rh4+ and one As2- atom to form AsAsRh3 tetrahedra that share corners with three equivalent RhAs6 octahedra, corners with thirteen AsAsRh3 tetrahedra, and an edgeedge with one AsAsRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 68–72°.
- 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:
- 1191469
- Report Number(s):
- mp-15954
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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