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Title: Materials Data on Sc5(In2Ni)2 by Materials Project

Abstract

Sc5(NiIn2)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are ten inequivalent Sc sites. In the first Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Ni and six In atoms. There are one shorter (2.62 Å) and one longer (2.68 Å) Sc–Ni bond lengths. There are a spread of Sc–In bond distances ranging from 3.09–3.65 Å. In the second Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Ni and six In atoms. There are one shorter (2.63 Å) and one longer (2.66 Å) Sc–Ni bond lengths. There are a spread of Sc–In bond distances ranging from 3.09–3.66 Å. In the third Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Ni and six In atoms. There are one shorter (2.65 Å) and one longer (2.67 Å) Sc–Ni bond lengths. There are a spread of Sc–In bond distances ranging from 3.10–3.66 Å. In the fourth Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Ni and six In atoms. There are one shorter (2.64 Å) and one longer (2.69 Å) Sc–Ni bond lengths. There are a spread of Sc–In bond distances ranging frommore » 3.10–3.66 Å. In the fifth Sc site, Sc is bonded in a 12-coordinate geometry to eight In atoms. There are a spread of Sc–In bond distances ranging from 3.25–3.50 Å. In the sixth Sc site, Sc is bonded in a 10-coordinate geometry to four Ni and six In atoms. There are a spread of Sc–Ni bond distances ranging from 2.86–3.01 Å. There are a spread of Sc–In bond distances ranging from 3.17–3.46 Å. In the seventh Sc site, Sc is bonded in a 10-coordinate geometry to four Ni and six In atoms. There are a spread of Sc–Ni bond distances ranging from 2.90–3.00 Å. There are a spread of Sc–In bond distances ranging from 3.18–3.44 Å. In the eighth Sc site, Sc is bonded in a 10-coordinate geometry to four Ni and six In atoms. There are a spread of Sc–Ni bond distances ranging from 2.90–3.01 Å. There are a spread of Sc–In bond distances ranging from 3.16–3.46 Å. In the ninth Sc site, Sc is bonded in a 12-coordinate geometry to eight In atoms. There are a spread of Sc–In bond distances ranging from 3.30–3.51 Å. In the tenth Sc site, Sc is bonded in a 10-coordinate geometry to four Ni and six In atoms. There are a spread of Sc–Ni bond distances ranging from 2.86–3.01 Å. There are a spread of Sc–In bond distances ranging from 3.19–3.44 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to six Sc and three In atoms. There are a spread of Ni–In bond distances ranging from 2.94–3.23 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to six Sc and three In atoms. There are two shorter (2.94 Å) and one longer (3.23 Å) Ni–In bond lengths. In the third Ni site, Ni is bonded in a 2-coordinate geometry to six Sc and three In atoms. There are a spread of Ni–In bond distances ranging from 2.93–3.25 Å. In the fourth Ni site, Ni is bonded in a 9-coordinate geometry to six Sc and three In atoms. There are a spread of Ni–In bond distances ranging from 2.92–3.25 Å. There are eight inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Sc, one Ni, and one In atom. The In–In bond length is 3.40 Å. In the second In site, In is bonded in a 10-coordinate geometry to eight Sc, one Ni, and one In atom. The In–In bond length is 3.41 Å. In the third In site, In is bonded in a 11-coordinate geometry to eight Sc, two Ni, and one In atom. The In–In bond length is 3.41 Å. In the fourth In site, In is bonded in a 11-coordinate geometry to eight Sc, two Ni, and one In atom. In the fifth In site, In is bonded in a 10-coordinate geometry to eight Sc, one Ni, and one In atom. In the sixth In site, In is bonded in a 11-coordinate geometry to eight Sc, two Ni, and one In atom. The In–In bond length is 3.40 Å. In the seventh In site, In is bonded in a 11-coordinate geometry to eight Sc, two Ni, and one In atom. In the eighth In site, In is bonded in a 10-coordinate geometry to eight Sc, one Ni, and one In atom.« less

Authors:
Publication Date:
Other Number(s):
mp-603576
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; Sc5(In2Ni)2; In-Ni-Sc
OSTI Identifier:
1277361
DOI:
https://doi.org/10.17188/1277361

Citation Formats

The Materials Project. Materials Data on Sc5(In2Ni)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277361.
The Materials Project. Materials Data on Sc5(In2Ni)2 by Materials Project. United States. doi:https://doi.org/10.17188/1277361
The Materials Project. 2020. "Materials Data on Sc5(In2Ni)2 by Materials Project". United States. doi:https://doi.org/10.17188/1277361. https://www.osti.gov/servlets/purl/1277361. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1277361,
title = {Materials Data on Sc5(In2Ni)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sc5(NiIn2)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are ten inequivalent Sc sites. In the first Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Ni and six In atoms. There are one shorter (2.62 Å) and one longer (2.68 Å) Sc–Ni bond lengths. There are a spread of Sc–In bond distances ranging from 3.09–3.65 Å. In the second Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Ni and six In atoms. There are one shorter (2.63 Å) and one longer (2.66 Å) Sc–Ni bond lengths. There are a spread of Sc–In bond distances ranging from 3.09–3.66 Å. In the third Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Ni and six In atoms. There are one shorter (2.65 Å) and one longer (2.67 Å) Sc–Ni bond lengths. There are a spread of Sc–In bond distances ranging from 3.10–3.66 Å. In the fourth Sc site, Sc is bonded in a 2-coordinate geometry to two equivalent Ni and six In atoms. There are one shorter (2.64 Å) and one longer (2.69 Å) Sc–Ni bond lengths. There are a spread of Sc–In bond distances ranging from 3.10–3.66 Å. In the fifth Sc site, Sc is bonded in a 12-coordinate geometry to eight In atoms. There are a spread of Sc–In bond distances ranging from 3.25–3.50 Å. In the sixth Sc site, Sc is bonded in a 10-coordinate geometry to four Ni and six In atoms. There are a spread of Sc–Ni bond distances ranging from 2.86–3.01 Å. There are a spread of Sc–In bond distances ranging from 3.17–3.46 Å. In the seventh Sc site, Sc is bonded in a 10-coordinate geometry to four Ni and six In atoms. There are a spread of Sc–Ni bond distances ranging from 2.90–3.00 Å. There are a spread of Sc–In bond distances ranging from 3.18–3.44 Å. In the eighth Sc site, Sc is bonded in a 10-coordinate geometry to four Ni and six In atoms. There are a spread of Sc–Ni bond distances ranging from 2.90–3.01 Å. There are a spread of Sc–In bond distances ranging from 3.16–3.46 Å. In the ninth Sc site, Sc is bonded in a 12-coordinate geometry to eight In atoms. There are a spread of Sc–In bond distances ranging from 3.30–3.51 Å. In the tenth Sc site, Sc is bonded in a 10-coordinate geometry to four Ni and six In atoms. There are a spread of Sc–Ni bond distances ranging from 2.86–3.01 Å. There are a spread of Sc–In bond distances ranging from 3.19–3.44 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to six Sc and three In atoms. There are a spread of Ni–In bond distances ranging from 2.94–3.23 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to six Sc and three In atoms. There are two shorter (2.94 Å) and one longer (3.23 Å) Ni–In bond lengths. In the third Ni site, Ni is bonded in a 2-coordinate geometry to six Sc and three In atoms. There are a spread of Ni–In bond distances ranging from 2.93–3.25 Å. In the fourth Ni site, Ni is bonded in a 9-coordinate geometry to six Sc and three In atoms. There are a spread of Ni–In bond distances ranging from 2.92–3.25 Å. There are eight inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Sc, one Ni, and one In atom. The In–In bond length is 3.40 Å. In the second In site, In is bonded in a 10-coordinate geometry to eight Sc, one Ni, and one In atom. The In–In bond length is 3.41 Å. In the third In site, In is bonded in a 11-coordinate geometry to eight Sc, two Ni, and one In atom. The In–In bond length is 3.41 Å. In the fourth In site, In is bonded in a 11-coordinate geometry to eight Sc, two Ni, and one In atom. In the fifth In site, In is bonded in a 10-coordinate geometry to eight Sc, one Ni, and one In atom. In the sixth In site, In is bonded in a 11-coordinate geometry to eight Sc, two Ni, and one In atom. The In–In bond length is 3.40 Å. In the seventh In site, In is bonded in a 11-coordinate geometry to eight Sc, two Ni, and one In atom. In the eighth In site, In is bonded in a 10-coordinate geometry to eight Sc, one Ni, and one In atom.},
doi = {10.17188/1277361},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 24 00:00:00 EDT 2020},
month = {Fri Jul 24 00:00:00 EDT 2020}
}