skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on BaLiGe2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1189411· OSTI ID:1189411

LiBaGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.74–2.91 Å. Ba is bonded in a 5-coordinate geometry to nine Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.41–3.62 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 3-coordinate geometry to three equivalent Li, four equivalent Ba, and two equivalent Ge atoms. There are one shorter (2.51 Å) and one longer (2.57 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Li, five equivalent Ba, and two equivalent Ge 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:
1189411
Report Number(s):
mp-13140
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on Li22(Cu3Si2)7 by Materials Project
Dataset · Thu Sep 03 00:00:00 EDT 2020 · OSTI ID:1189411

Materials Data on Ca6Ge7Au15 by Materials Project
Dataset · Wed Apr 29 00:00:00 EDT 2020 · OSTI ID:1189411

Materials Data on La7P12Pd17 by Materials Project
Dataset · Mon Jul 20 00:00:00 EDT 2020 · OSTI ID:1189411