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Title: Materials Data on BaS2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1283842· OSTI ID:1283842

BaS2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded to eight equivalent S1- atoms to form a mixture of corner and edge-sharing BaS8 hexagonal bipyramids. There are a spread of Ba–S bond distances ranging from 3.18–3.29 Å. S1- is bonded in a 5-coordinate geometry to four equivalent Ba2+ and one S1- atom. The S–S bond length is 2.12 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:
1283842
Report Number(s):
mp-684
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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