Materials Data on As3Ir by Materials Project
IrAs3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ir3+ is bonded to six equivalent As1- atoms to form IrAs6 octahedra that share corners with six equivalent IrAs6 octahedra and corners with twelve equivalent AsAs2Ir2 tetrahedra. The corner-sharing octahedral tilt angles are 60°. All Ir–As bond lengths are 2.48 Å. As1- is bonded to two equivalent Ir3+ and two equivalent As1- atoms to form AsAs2Ir2 tetrahedra that share corners with four equivalent IrAs6 octahedra, corners with ten equivalent AsAs2Ir2 tetrahedra, and an edgeedge with one AsAs2Ir2 tetrahedra. The corner-sharing octahedra tilt angles range from 69–70°. There are one shorter (2.51 Å) and one longer (2.62 Å) As–As 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:
- 1264862
- Report Number(s):
- mp-540912
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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