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Title: Materials Data on BaAlGe by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1189492· OSTI ID:1189492

BaAlGe crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ba is bonded to six equivalent Al and six equivalent Ge atoms to form a mixture of edge and face-sharing BaAl6Ge6 cuboctahedra. All Ba–Al bond lengths are 3.63 Å. All Ba–Ge bond lengths are 3.63 Å. Al is bonded in a distorted trigonal planar geometry to six equivalent Ba and three equivalent Ge atoms. All Al–Ge bond lengths are 2.53 Å. Ge is bonded in a distorted trigonal planar geometry to six equivalent Ba and three equivalent Al 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:
1189492
Report Number(s):
mp-13272
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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