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Title: Materials Data on SrSi6 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1185110· OSTI ID:1185110

SrSi6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to eighteen Si atoms. There are a spread of Sr–Si bond distances ranging from 3.17–3.55 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to three equivalent Sr and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.39–2.45 Å. In the second Si site, Si is bonded in a 7-coordinate geometry to three equivalent Sr and four Si atoms. There are one shorter (2.42 Å) and one longer (2.43 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 7-coordinate geometry to three equivalent Sr and four Si atoms. Both Si–Si bond lengths are 2.41 Å.

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:
1185110
Report Number(s):
mp-1009
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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