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Title: Materials Data on Ba2Sb by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1316968· OSTI ID:1316968

Ba2Sb crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 5-coordinate geometry to five equivalent Sb atoms. There are one shorter (3.54 Å) and four longer (3.85 Å) Ba–Sb bond lengths. In the second Ba site, Ba is bonded in a distorted square co-planar geometry to four equivalent Sb atoms. All Ba–Sb bond lengths are 3.67 Å. Sb is bonded in a 9-coordinate geometry to nine Ba 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:
1316968
Report Number(s):
mp-9908
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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