Materials Data on Tb11In9Ni4 by Materials Project
Tb11Ni4In9 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are five inequivalent Tb sites. In the first Tb site, Tb is bonded in a 8-coordinate geometry to two equivalent Ni and six In atoms. Both Tb–Ni bond lengths are 2.78 Å. There are a spread of Tb–In bond distances ranging from 3.16–3.44 Å. In the second Tb site, Tb is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (3.27 Å) and four longer (3.41 Å) Tb–In bond lengths. In the third Tb site, Tb is bonded in a 10-coordinate geometry to four equivalent Ni and six In atoms. All Tb–Ni bond lengths are 2.92 Å. There are two shorter (3.23 Å) and four longer (3.36 Å) Tb–In bond lengths. In the fourth Tb site, Tb is bonded in a 4-coordinate geometry to four equivalent Ni and six In atoms. All Tb–Ni bond lengths are 2.86 Å. There are two shorter (3.29 Å) and four longer (3.39 Å) Tb–In bond lengths. In the fifth Tb site, Tb is bonded in a distorted body-centered cubic geometry to eight equivalent In atoms. All Tb–In bond lengths are 3.23 Å. Ni is bonded in a 6-coordinate geometry to six Tb and three In atoms. There are a spread of Ni–In bond distances ranging from 2.98–3.09 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Tb, one Ni, and one In atom. The In–In bond length is 3.04 Å. In the second In site, In is bonded in a 10-coordinate geometry to eight Tb, one Ni, and one In atom. The In–In bond length is 3.04 Å. In the third In site, In is bonded to eight Tb and four equivalent Ni atoms to form face-sharing InTb8Ni4 cuboctahedra.
- 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:
- 1677072
- Report Number(s):
- mp-1191293
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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