Materials Data on Nd5In11Ni6 by Materials Project
Nd5Ni6In11 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 1-coordinate geometry to three Ni and ten In atoms. There are one shorter (2.88 Å) and two longer (3.20 Å) Nd–Ni bond lengths. There are a spread of Nd–In bond distances ranging from 3.24–3.54 Å. In the second Nd site, Nd is bonded in a 10-coordinate geometry to eight equivalent Ni and ten In atoms. All Nd–Ni bond lengths are 3.23 Å. There are a spread of Nd–In bond distances ranging from 3.29–3.64 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to four equivalent Nd, one Ni, and five In atoms. The Ni–Ni bond length is 2.75 Å. There are a spread of Ni–In bond distances ranging from 2.60–2.73 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three Nd, one Ni, and five In atoms. The Ni–Ni bond length is 2.44 Å. There are a spread of Ni–In bond distances ranging from 2.61–2.83 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to five Nd, two equivalent Ni, and five In atoms. There are a spread of In–In bond distances ranging from 3.01–3.22 Å. In the second In site, In is bonded in a 12-coordinate geometry to four equivalent Nd, two equivalent Ni, and six In atoms. There are two shorter (3.05 Å) and two longer (3.23 Å) In–In bond lengths. In the third In site, In is bonded to five Nd, five Ni, and two equivalent In atoms to form a mixture of distorted face and corner-sharing InNd5In2Ni5 cuboctahedra. In the fourth In site, In is bonded in a distorted water-like geometry to four Nd, two equivalent Ni, and six In atoms. In the fifth In site, In is bonded in a 12-coordinate geometry to four equivalent Nd, four equivalent Ni, and four equivalent In 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:
- 1281717
- Report Number(s):
- mp-669645
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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