Materials Data on CaIn4Ir by Materials Project
CaIrIn4 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Ca is bonded in a 1-coordinate geometry to one Ir and twelve In atoms. The Ca–Ir bond length is 3.06 Å. There are a spread of Ca–In bond distances ranging from 3.33–3.76 Å. Ir is bonded in a 9-coordinate geometry to one Ca and eight In atoms. There are a spread of Ir–In bond distances ranging from 2.65–2.93 Å. There are three inequivalent In sites. In the first In site, In is bonded in a linear geometry to two equivalent Ca and two equivalent Ir atoms. In the second In site, In is bonded in a 2-coordinate geometry to four equivalent Ca and two equivalent Ir atoms. In the third In site, In is bonded in a distorted square co-planar geometry to two equivalent Ca and two equivalent Ir atoms.
- 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:
- 1196038
- Report Number(s):
- mp-20838
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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