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Title: Materials Data on LaAlGe by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1188019· OSTI ID:1188019

LaAlGe crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. La is bonded to six Al and six equivalent Ge atoms to form a mixture of edge and face-sharing LaAl6Ge6 cuboctahedra. There are two shorter (3.30 Å) and four longer (3.33 Å) La–Al bond lengths. There are two shorter (3.30 Å) and four longer (3.33 Å) La–Ge bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent La and three Ge atoms. There are two shorter (3.30 Å) and four longer (3.33 Å) Al–La bond lengths. There are one shorter (2.48 Å) and two longer (2.51 Å) Al–Ge bond lengths. In the second Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent La and three Ge atoms. There are one shorter (2.48 Å) and two longer (2.51 Å) Al–Ge bond lengths. In the third Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent La and three equivalent Ge atoms. There are one shorter (2.48 Å) and two longer (2.51 Å) Al–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted trigonal planar geometry to six equivalent La and three Al atoms. In the second Ge site, Ge is bonded in a distorted trigonal planar geometry to six equivalent La and three Al atoms. There are two shorter (3.30 Å) and four longer (3.33 Å) Ge–La bond lengths. In the third Ge site, Ge is bonded in a distorted trigonal planar geometry to six equivalent La and three Al atoms. There are two shorter (3.30 Å) and four longer (3.33 Å) Ge–La bond lengths. Both Ge–Al bond lengths are 2.51 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:
1188019
Report Number(s):
mp-11511
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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