Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Materials Data on LiB by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1192123· OSTI ID:1192123

LiB crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded to six equivalent B atoms to form a mixture of distorted edge, corner, and face-sharing LiB6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are two shorter (2.21 Å) and four longer (2.52 Å) Li–B bond lengths. B is bonded in a 8-coordinate geometry to six equivalent Li and two equivalent B atoms. Both B–B bond lengths are 1.57 Å.

Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1192123
Report Number(s):
mp-16726
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on LiB by Materials Project
Dataset · Sat May 02 00:00:00 EDT 2020 · OSTI ID:1719805

Materials Data on K2LiPdF6 by Materials Project
Dataset · Sat May 02 00:00:00 EDT 2020 · OSTI ID:1742293

Materials Data on KRb2PdF6 by Materials Project
Dataset · Fri Jan 11 23:00:00 EST 2019 · OSTI ID:1696523