U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on As3Ir by Materials Project
Abstract
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.
- Publication Date:
- Other Number(s):
- mp-540912
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; As-Ir; As3Ir; crystal structure
- OSTI Identifier:
- 1264862
- DOI:
- https://doi.org/10.17188/1264862
Citation Formats
Materials Data on As3Ir by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264862.
Materials Data on As3Ir by Materials Project. United States. doi:https://doi.org/10.17188/1264862
2020.
"Materials Data on As3Ir by Materials Project". United States. doi:https://doi.org/10.17188/1264862. https://www.osti.gov/servlets/purl/1264862. Pub date:Tue Jul 14 20:00:00 EDT 2020
@article{osti_1264862,
title = {Materials Data on As3Ir by Materials Project},
abstractNote = {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.},
doi = {10.17188/1264862},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}