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Title: Materials Data on Sc2MnSn by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1317512· OSTI ID:1317512

Sc2MnSn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to four equivalent Sc and four equivalent Sn atoms to form distorted edge-sharing ScSc4Sn4 tetrahedra. All Sc–Sc bond lengths are 2.92 Å. All Sc–Sn bond lengths are 2.92 Å. In the second Sc site, Sc is bonded in a 4-coordinate geometry to four equivalent Sc, four equivalent Mn, and six equivalent Sn atoms. All Sc–Mn bond lengths are 2.92 Å. All Sc–Sn bond lengths are 3.37 Å. Mn is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent Sn atoms. All Mn–Sn bond lengths are 2.92 Å. Sn is bonded in a distorted body-centered cubic geometry to ten Sc and four equivalent Mn atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1317512
Report Number(s):
mp-999207
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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