Materials Data on LiYb2InGe2 by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1315567· OSTI ID:1315567

LiYb2InGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 12-coordinate geometry to two equivalent Yb, one In, and four Ge atoms. Both Li–Yb bond lengths are 3.39 Å. The Li–In bond length is 2.92 Å. There are a spread of Li–Ge bond distances ranging from 2.67–2.80 Å. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 5-coordinate geometry to two equivalent Li, four equivalent In, and five Ge atoms. There are two shorter (3.28 Å) and two longer (3.44 Å) Yb–In bond lengths. There are a spread of Yb–Ge bond distances ranging from 3.06–3.12 Å. In the second Yb site, Yb is bonded in a 5-coordinate geometry to three equivalent In and five Ge atoms. There are two shorter (3.50 Å) and one longer (3.59 Å) Yb–In bond lengths. There are a spread of Yb–Ge bond distances ranging from 3.06–3.13 Å. In is bonded in a 12-coordinate geometry to one Li, seven Yb, and four Ge atoms. There are a spread of In–Ge bond distances ranging from 2.80–2.84 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to one Li, six Yb, and two equivalent In atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li, four Yb, and two equivalent In atoms.

• 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: 1315567
• Report Number(s): mp-977355
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-In-Li-Yb
LiYb2InGe2
crystal structure