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Title: Materials Data on ScFeSi by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1198905· OSTI ID:1198905

ScFeSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc2+ is bonded in a 5-coordinate geometry to six equivalent Si4- atoms. There are a spread of Sc–Si bond distances ranging from 2.80–3.04 Å. Fe2+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing FeSi4 tetrahedra. There are three shorter (2.34 Å) and one longer (2.40 Å) Fe–Si bond lengths. Si4- is bonded in a 10-coordinate geometry to six equivalent Sc2+ and four equivalent Fe2+ 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:
1198905
Report Number(s):
mp-22701
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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