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Title: Materials Data on BaAgBi by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1204748· OSTI ID:1204748

BaAgBi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded in a 5-coordinate geometry to six equivalent Ag and five equivalent Bi atoms. All Ba–Ag bond lengths are 3.80 Å. There are three shorter (3.37 Å) and two longer (3.52 Å) Ba–Bi bond lengths. Ag is bonded in a 8-coordinate geometry to six equivalent Ba and two equivalent Ag atoms. Both Ag–Ag bond lengths are 3.52 Å. Bi is bonded to five equivalent Ba atoms to form a mixture of edge and corner-sharing BiBa5 trigonal bipyramids.

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:
1204748
Report Number(s):
mp-30332
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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