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Title: Materials Data on Sc6InCo2 by Materials Project

Abstract

Sc6Co2In crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Sc sites. In the first Sc site, Sc is bonded in a 4-coordinate geometry to two Co and two In atoms. There are one shorter (2.59 Å) and one longer (2.87 Å) Sc–Co bond lengths. There are one shorter (2.92 Å) and one longer (3.13 Å) Sc–In bond lengths. In the second Sc site, Sc is bonded in a 4-coordinate geometry to three Co and one In atom. There are one shorter (2.54 Å) and two longer (2.75 Å) Sc–Co bond lengths. The Sc–In bond length is 3.16 Å. In the third Sc site, Sc is bonded in a 5-coordinate geometry to three Co and two In atoms. There are two shorter (2.78 Å) and one longer (2.98 Å) Sc–Co bond lengths. There are one shorter (3.03 Å) and one longer (3.35 Å) Sc–In bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Sc and one Co atom. The Co–Co bond length is 2.31 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to eight Sc andmore » one Co atom. The Co–Co bond length is 2.21 Å. There are two inequivalent In sites. In the first In site, In is bonded in a cuboctahedral geometry to twelve Sc atoms. In the second In site, In is bonded in a distorted body-centered cubic geometry to eight Sc atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1209292
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; Sc6InCo2; Co-In-Sc
OSTI Identifier:
1736374
DOI:
https://doi.org/10.17188/1736374

Citation Formats

The Materials Project. Materials Data on Sc6InCo2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1736374.
The Materials Project. Materials Data on Sc6InCo2 by Materials Project. United States. doi:https://doi.org/10.17188/1736374
The Materials Project. 2020. "Materials Data on Sc6InCo2 by Materials Project". United States. doi:https://doi.org/10.17188/1736374. https://www.osti.gov/servlets/purl/1736374. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1736374,
title = {Materials Data on Sc6InCo2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sc6Co2In crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Sc sites. In the first Sc site, Sc is bonded in a 4-coordinate geometry to two Co and two In atoms. There are one shorter (2.59 Å) and one longer (2.87 Å) Sc–Co bond lengths. There are one shorter (2.92 Å) and one longer (3.13 Å) Sc–In bond lengths. In the second Sc site, Sc is bonded in a 4-coordinate geometry to three Co and one In atom. There are one shorter (2.54 Å) and two longer (2.75 Å) Sc–Co bond lengths. The Sc–In bond length is 3.16 Å. In the third Sc site, Sc is bonded in a 5-coordinate geometry to three Co and two In atoms. There are two shorter (2.78 Å) and one longer (2.98 Å) Sc–Co bond lengths. There are one shorter (3.03 Å) and one longer (3.35 Å) Sc–In bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Sc and one Co atom. The Co–Co bond length is 2.31 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to eight Sc and one Co atom. The Co–Co bond length is 2.21 Å. There are two inequivalent In sites. In the first In site, In is bonded in a cuboctahedral geometry to twelve Sc atoms. In the second In site, In is bonded in a distorted body-centered cubic geometry to eight Sc atoms.},
doi = {10.17188/1736374},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}