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Title: Materials Data on BSe2Cl by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1279218· OSTI ID:1279218

BSe2Cl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. B3- is bonded in a body-centered cubic geometry to eight equivalent Se2+ atoms. All B–Se bond lengths are 2.79 Å. Se2+ is bonded in a distorted body-centered cubic geometry to four equivalent B3- and four equivalent Cl1- atoms. All Se–Cl bond lengths are 2.79 Å. Cl1- is bonded in a body-centered cubic geometry to eight equivalent Se2+ 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:
1279218
Report Number(s):
mp-631529
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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