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Title: Materials Data on Nd6Si4Ni7 by Materials Project

Abstract

Nd6Ni7Si4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are four inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to seven Ni and four Si atoms. There are a spread of Nd–Ni bond distances ranging from 2.84–3.46 Å. There are a spread of Nd–Si bond distances ranging from 3.08–3.32 Å. In the second Nd site, Nd is bonded to eight Ni and four equivalent Si atoms to form a mixture of distorted face and edge-sharing NdSi4Ni8 cuboctahedra. There are a spread of Nd–Ni bond distances ranging from 2.97–3.39 Å. There are two shorter (3.25 Å) and two longer (3.28 Å) Nd–Si bond lengths. In the third Nd site, Nd is bonded in a 9-coordinate geometry to five Ni and four equivalent Si atoms. There are a spread of Nd–Ni bond distances ranging from 2.82–3.52 Å. There are two shorter (3.14 Å) and two longer (3.17 Å) Nd–Si bond lengths. In the fourth Nd site, Nd is bonded in a 7-coordinate geometry to six Ni and four Si atoms. There are a spread of Nd–Ni bond distances ranging from 2.85–3.43 Å. There are a spread of Nd–Si bond distances rangingmore » from 3.08–3.42 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to seven Nd and two equivalent Si atoms. Both Ni–Si bond lengths are 2.64 Å. In the second Ni site, Ni is bonded in a 10-coordinate geometry to six Nd, one Ni, and three Si atoms. The Ni–Ni bond length is 2.70 Å. There are a spread of Ni–Si bond distances ranging from 2.31–2.38 Å. In the third Ni site, Ni is bonded in a 9-coordinate geometry to six Nd, two equivalent Ni, and one Si atom. There are one shorter (2.52 Å) and one longer (2.59 Å) Ni–Ni bond lengths. The Ni–Si bond length is 2.44 Å. In the fourth Ni site, Ni is bonded in a 7-coordinate geometry to four Nd, one Ni, and three Si atoms. There are a spread of Ni–Si bond distances ranging from 2.33–2.40 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to six Nd and four Ni atoms. In the second Si site, Si is bonded in a 10-coordinate geometry to six Nd and four Ni atoms.« less

Publication Date:
Other Number(s):
mp-1210820
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Nd6Si4Ni7; Nd-Ni-Si
OSTI Identifier:
1684554
DOI:
https://doi.org/10.17188/1684554

Citation Formats

The Materials Project. Materials Data on Nd6Si4Ni7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684554.
The Materials Project. Materials Data on Nd6Si4Ni7 by Materials Project. United States. doi:https://doi.org/10.17188/1684554
The Materials Project. 2020. "Materials Data on Nd6Si4Ni7 by Materials Project". United States. doi:https://doi.org/10.17188/1684554. https://www.osti.gov/servlets/purl/1684554. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1684554,
title = {Materials Data on Nd6Si4Ni7 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd6Ni7Si4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are four inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to seven Ni and four Si atoms. There are a spread of Nd–Ni bond distances ranging from 2.84–3.46 Å. There are a spread of Nd–Si bond distances ranging from 3.08–3.32 Å. In the second Nd site, Nd is bonded to eight Ni and four equivalent Si atoms to form a mixture of distorted face and edge-sharing NdSi4Ni8 cuboctahedra. There are a spread of Nd–Ni bond distances ranging from 2.97–3.39 Å. There are two shorter (3.25 Å) and two longer (3.28 Å) Nd–Si bond lengths. In the third Nd site, Nd is bonded in a 9-coordinate geometry to five Ni and four equivalent Si atoms. There are a spread of Nd–Ni bond distances ranging from 2.82–3.52 Å. There are two shorter (3.14 Å) and two longer (3.17 Å) Nd–Si bond lengths. In the fourth Nd site, Nd is bonded in a 7-coordinate geometry to six Ni and four Si atoms. There are a spread of Nd–Ni bond distances ranging from 2.85–3.43 Å. There are a spread of Nd–Si bond distances ranging from 3.08–3.42 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to seven Nd and two equivalent Si atoms. Both Ni–Si bond lengths are 2.64 Å. In the second Ni site, Ni is bonded in a 10-coordinate geometry to six Nd, one Ni, and three Si atoms. The Ni–Ni bond length is 2.70 Å. There are a spread of Ni–Si bond distances ranging from 2.31–2.38 Å. In the third Ni site, Ni is bonded in a 9-coordinate geometry to six Nd, two equivalent Ni, and one Si atom. There are one shorter (2.52 Å) and one longer (2.59 Å) Ni–Ni bond lengths. The Ni–Si bond length is 2.44 Å. In the fourth Ni site, Ni is bonded in a 7-coordinate geometry to four Nd, one Ni, and three Si atoms. There are a spread of Ni–Si bond distances ranging from 2.33–2.40 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to six Nd and four Ni atoms. In the second Si site, Si is bonded in a 10-coordinate geometry to six Nd and four Ni atoms.},
doi = {10.17188/1684554},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}