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Title: Materials Data on Sc3Co by Materials Project

Abstract

Sc3Co is Cementite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Sc sites. In the first Sc site, Sc is bonded in a bent 150 degrees geometry to two Co atoms. There are one shorter (2.48 Å) and one longer (2.58 Å) Sc–Co bond lengths. In the second Sc site, Sc is bonded in a distorted L-shaped geometry to two Co atoms. Both Sc–Co bond lengths are 2.58 Å. In the third Sc site, Sc is bonded in a 2-coordinate geometry to three Co atoms. There are a spread of Sc–Co bond distances ranging from 2.66–3.04 Å. In the fourth Sc site, Sc is bonded in a 3-coordinate geometry to three Co atoms. There are a spread of Sc–Co bond distances ranging from 2.56–2.94 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to eight Sc atoms. In the second Co site, Co is bonded in a 6-coordinate geometry to eight Sc atoms.

Publication Date:
Other Number(s):
mp-27162
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; Sc3Co; Co-Sc
OSTI Identifier:
1201375
DOI:
10.17188/1201375

Citation Formats

The Materials Project. Materials Data on Sc3Co by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201375.
The Materials Project. Materials Data on Sc3Co by Materials Project. United States. doi:10.17188/1201375.
The Materials Project. 2020. "Materials Data on Sc3Co by Materials Project". United States. doi:10.17188/1201375. https://www.osti.gov/servlets/purl/1201375. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1201375,
title = {Materials Data on Sc3Co by Materials Project},
author = {The Materials Project},
abstractNote = {Sc3Co is Cementite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Sc sites. In the first Sc site, Sc is bonded in a bent 150 degrees geometry to two Co atoms. There are one shorter (2.48 Å) and one longer (2.58 Å) Sc–Co bond lengths. In the second Sc site, Sc is bonded in a distorted L-shaped geometry to two Co atoms. Both Sc–Co bond lengths are 2.58 Å. In the third Sc site, Sc is bonded in a 2-coordinate geometry to three Co atoms. There are a spread of Sc–Co bond distances ranging from 2.66–3.04 Å. In the fourth Sc site, Sc is bonded in a 3-coordinate geometry to three Co atoms. There are a spread of Sc–Co bond distances ranging from 2.56–2.94 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to eight Sc atoms. In the second Co site, Co is bonded in a 6-coordinate geometry to eight Sc atoms.},
doi = {10.17188/1201375},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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