Materials Data on Tl3Ir by Materials Project
IrTl3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ir is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Ir–Tl bond lengths are 3.15 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded to four equivalent Ir and four equivalent Tl atoms to form a mixture of distorted face, edge, and corner-sharing TlTl4Ir4 tetrahedra. All Tl–Tl bond lengths are 3.15 Å. In the second Tl site, Tl is bonded in a distorted body-centered cubic geometry to eight equivalent Tl 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:
- 1313599
- Report Number(s):
- mp-971750
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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