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Title: Materials Data on Sc5(CoSn3)6 by Materials Project

Abstract

Sc5Co6Sn18 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 12-coordinate geometry to six Co and twelve Sn atoms. There are two shorter (3.42 Å) and four longer (3.46 Å) Sc–Co bond lengths. There are a spread of Sc–Sn bond distances ranging from 3.27–3.32 Å. In the second Sc site, Sc is bonded in a 1-coordinate geometry to three Co and ten Sn atoms. There are a spread of Sc–Co bond distances ranging from 2.93–2.95 Å. There are a spread of Sc–Sn bond distances ranging from 3.01–3.26 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to three Sc and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.56–2.70 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to three Sc and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.59–2.69 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three Sc and two Co atoms. Inmore » the second Sn site, Sn is bonded in a 6-coordinate geometry to three Sc, two equivalent Co, and one Sn atom. The Sn–Sn bond length is 2.93 Å. In the third Sn site, Sn is bonded in a distorted hexagonal planar geometry to three equivalent Sc and three Co atoms. In the fourth Sn site, Sn is bonded in a 6-coordinate geometry to three Sc, two Co, and one Sn atom. The Sn–Sn bond length is 2.95 Å. In the fifth Sn site, Sn is bonded in a 2-coordinate geometry to three Sc, two equivalent Co, and one Sn atom. In the sixth Sn site, Sn is bonded in a distorted L-shaped geometry to two equivalent Sc atoms.« less

Publication Date:
Other Number(s):
mp-1203372
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; Sc5(CoSn3)6; Co-Sc-Sn
OSTI Identifier:
1743761
DOI:
https://doi.org/10.17188/1743761

Citation Formats

The Materials Project. Materials Data on Sc5(CoSn3)6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1743761.
The Materials Project. Materials Data on Sc5(CoSn3)6 by Materials Project. United States. doi:https://doi.org/10.17188/1743761
The Materials Project. 2019. "Materials Data on Sc5(CoSn3)6 by Materials Project". United States. doi:https://doi.org/10.17188/1743761. https://www.osti.gov/servlets/purl/1743761. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1743761,
title = {Materials Data on Sc5(CoSn3)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sc5Co6Sn18 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 12-coordinate geometry to six Co and twelve Sn atoms. There are two shorter (3.42 Å) and four longer (3.46 Å) Sc–Co bond lengths. There are a spread of Sc–Sn bond distances ranging from 3.27–3.32 Å. In the second Sc site, Sc is bonded in a 1-coordinate geometry to three Co and ten Sn atoms. There are a spread of Sc–Co bond distances ranging from 2.93–2.95 Å. There are a spread of Sc–Sn bond distances ranging from 3.01–3.26 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to three Sc and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.56–2.70 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to three Sc and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.59–2.69 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three Sc and two Co atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to three Sc, two equivalent Co, and one Sn atom. The Sn–Sn bond length is 2.93 Å. In the third Sn site, Sn is bonded in a distorted hexagonal planar geometry to three equivalent Sc and three Co atoms. In the fourth Sn site, Sn is bonded in a 6-coordinate geometry to three Sc, two Co, and one Sn atom. The Sn–Sn bond length is 2.95 Å. In the fifth Sn site, Sn is bonded in a 2-coordinate geometry to three Sc, two equivalent Co, and one Sn atom. In the sixth Sn site, Sn is bonded in a distorted L-shaped geometry to two equivalent Sc atoms.},
doi = {10.17188/1743761},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}