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Title: Materials Data on LaSI by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1741952· OSTI ID:1741952

LaSI crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. La3+ is bonded in a 7-coordinate geometry to four equivalent S2- and three equivalent I1- atoms. There are one shorter (2.87 Å) and three longer (2.88 Å) La–S bond lengths. There are a spread of La–I bond distances ranging from 3.31–3.51 Å. S2- is bonded to four equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing SLa4 tetrahedra. I1- is bonded in a 3-coordinate geometry to three equivalent La3+ 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:
1741952
Report Number(s):
mp-1211464
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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