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Title: Materials Data on Nd4In8Ni7 by Materials Project

Abstract

Nd4Ni7In8 is beta Plutonium-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to six Ni and six In atoms. There are two shorter (2.85 Å) and four longer (3.41 Å) Nd–Ni bond lengths. There are four shorter (3.41 Å) and two longer (3.48 Å) Nd–In bond lengths. In the second Nd site, Nd is bonded in a 1-coordinate geometry to three Ni and ten In atoms. There are one shorter (2.86 Å) and two longer (3.14 Å) Nd–Ni bond lengths. There are a spread of Nd–In bond distances ranging from 3.32–3.51 Å. In the third Nd site, Nd is bonded in a 6-coordinate geometry to ten Ni and eight In atoms. There are a spread of Nd–Ni bond distances ranging from 3.12–3.28 Å. There are a spread of Nd–In bond distances ranging from 3.32–3.56 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to two equivalent Nd, four equivalent Ni, and four In atoms. All Ni–Ni bond lengths are 2.56 Å. There are two shorter (2.72 Å)more » and two longer (2.82 Å) Ni–In bond lengths. 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 2.40 Å. There are a spread of Ni–In bond distances ranging from 2.63–2.90 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to four Nd, one Ni, and five In atoms. The Ni–Ni bond length is 2.83 Å. There are a spread of Ni–In bond distances ranging from 2.60–2.69 Å. In the fourth Ni site, Ni is bonded in a 10-coordinate geometry to three Nd, four Ni, and three In atoms. The Ni–Ni bond length is 2.62 Å. There are one shorter (2.49 Å) and two longer (2.66 Å) Ni–In bond lengths. There are seven inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to four equivalent Nd, two equivalent Ni, and six In atoms. There are a spread of In–In bond distances ranging from 3.04–3.29 Å. In the second In site, In is bonded in a 12-coordinate geometry to two equivalent Nd, four equivalent Ni, and four In atoms. Both In–In bond lengths are 3.02 Å. In the third 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 3.11–3.19 Å. In the fourth In site, In is bonded to four equivalent Nd, four equivalent Ni, and four equivalent In atoms to form distorted face-sharing InNd4In4Ni4 cuboctahedra. In the fifth In site, In is bonded to four equivalent Nd and eight Ni atoms to form distorted face-sharing InNd4Ni8 cuboctahedra. In the sixth In site, In is bonded in a 12-coordinate geometry to five Nd, six Ni, and one In atom. In the seventh In site, In is bonded in a distorted water-like geometry to four Nd, two equivalent Ni, and six In atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1201881
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Nd4In8Ni7; In-Nd-Ni
OSTI Identifier:
1680772
DOI:
https://doi.org/10.17188/1680772

Citation Formats

The Materials Project. Materials Data on Nd4In8Ni7 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1680772.
The Materials Project. Materials Data on Nd4In8Ni7 by Materials Project. United States. doi:https://doi.org/10.17188/1680772
The Materials Project. 2019. "Materials Data on Nd4In8Ni7 by Materials Project". United States. doi:https://doi.org/10.17188/1680772. https://www.osti.gov/servlets/purl/1680772. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1680772,
title = {Materials Data on Nd4In8Ni7 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd4Ni7In8 is beta Plutonium-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to six Ni and six In atoms. There are two shorter (2.85 Å) and four longer (3.41 Å) Nd–Ni bond lengths. There are four shorter (3.41 Å) and two longer (3.48 Å) Nd–In bond lengths. In the second Nd site, Nd is bonded in a 1-coordinate geometry to three Ni and ten In atoms. There are one shorter (2.86 Å) and two longer (3.14 Å) Nd–Ni bond lengths. There are a spread of Nd–In bond distances ranging from 3.32–3.51 Å. In the third Nd site, Nd is bonded in a 6-coordinate geometry to ten Ni and eight In atoms. There are a spread of Nd–Ni bond distances ranging from 3.12–3.28 Å. There are a spread of Nd–In bond distances ranging from 3.32–3.56 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to two equivalent Nd, four equivalent Ni, and four In atoms. All Ni–Ni bond lengths are 2.56 Å. There are two shorter (2.72 Å) and two longer (2.82 Å) Ni–In bond lengths. 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 2.40 Å. There are a spread of Ni–In bond distances ranging from 2.63–2.90 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to four Nd, one Ni, and five In atoms. The Ni–Ni bond length is 2.83 Å. There are a spread of Ni–In bond distances ranging from 2.60–2.69 Å. In the fourth Ni site, Ni is bonded in a 10-coordinate geometry to three Nd, four Ni, and three In atoms. The Ni–Ni bond length is 2.62 Å. There are one shorter (2.49 Å) and two longer (2.66 Å) Ni–In bond lengths. There are seven inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to four equivalent Nd, two equivalent Ni, and six In atoms. There are a spread of In–In bond distances ranging from 3.04–3.29 Å. In the second In site, In is bonded in a 12-coordinate geometry to two equivalent Nd, four equivalent Ni, and four In atoms. Both In–In bond lengths are 3.02 Å. In the third 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 3.11–3.19 Å. In the fourth In site, In is bonded to four equivalent Nd, four equivalent Ni, and four equivalent In atoms to form distorted face-sharing InNd4In4Ni4 cuboctahedra. In the fifth In site, In is bonded to four equivalent Nd and eight Ni atoms to form distorted face-sharing InNd4Ni8 cuboctahedra. In the sixth In site, In is bonded in a 12-coordinate geometry to five Nd, six Ni, and one In atom. In the seventh In site, In is bonded in a distorted water-like geometry to four Nd, two equivalent Ni, and six In atoms.},
doi = {10.17188/1680772},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}