Materials Data on Tb3Ir2 by Materials Project
Tb3Ir2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are five inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Tb–Ir bond distances ranging from 2.90–3.48 Å. In the second Tb site, Tb is bonded in a 4-coordinate geometry to four Ir atoms. There are two shorter (2.72 Å) and two longer (2.86 Å) Tb–Ir bond lengths. In the third Tb site, Tb is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Tb–Ir bond distances ranging from 2.87–3.25 Å. In the fourth Tb site, Tb is bonded in a tetrahedral geometry to four equivalent Ir atoms. All Tb–Ir bond lengths are 2.91 Å. In the fifth Tb site, Tb is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Tb–Ir bond distances ranging from 2.79–3.45 Å. There are six inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Tb atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Tb atoms. In the third Ir site, Ir is bonded in a body-centered cubic geometry to eight equivalent Tb atoms. In the fourth Ir site, Ir is bonded in a 10-coordinate geometry to eight equivalent Tb atoms. In the fifth Ir site, Ir is bonded in a 6-coordinate geometry to eight Tb atoms. In the sixth Ir site, Ir is bonded in a 10-coordinate geometry to ten Tb 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:
- 1744675
- Report Number(s):
- mp-1198700
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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