U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2Nd2Ge3 by Materials Project
Abstract
Li2Nd2Ge3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to three equivalent Nd and four Ge atoms to form a mixture of distorted edge, face, and corner-sharing LiNd3Ge4 tetrahedra. There are one shorter (3.13 Å) and two longer (3.16 Å) Li–Nd bond lengths. There are a spread of Li–Ge bond distances ranging from 2.57–2.74 Å. There are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 5-coordinate geometry to nine Ge atoms. There are a spread of Nd–Ge bond distances ranging from 3.13–3.33 Å. In the second Nd site, Nd is bonded in a 12-coordinate geometry to six equivalent Li and six Ge atoms. There are four shorter (3.12 Å) and two longer (3.19 Å) Nd–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to one Li, six Nd, and two equivalent Ge atoms. There are one shorter (2.51 Å) and one longer (2.54 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Li and three Nd atoms.
- Publication Date:
- Other Number(s):
- mp-1104331
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ge-Li-Nd; Li2Nd2Ge3; crystal structure
- OSTI Identifier:
- 1738580
- DOI:
- https://doi.org/10.17188/1738580
Citation Formats
Materials Data on Li2Nd2Ge3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738580.
Materials Data on Li2Nd2Ge3 by Materials Project. United States. doi:https://doi.org/10.17188/1738580
2020.
"Materials Data on Li2Nd2Ge3 by Materials Project". United States. doi:https://doi.org/10.17188/1738580. https://www.osti.gov/servlets/purl/1738580. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1738580,
title = {Materials Data on Li2Nd2Ge3 by Materials Project},
abstractNote = {Li2Nd2Ge3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to three equivalent Nd and four Ge atoms to form a mixture of distorted edge, face, and corner-sharing LiNd3Ge4 tetrahedra. There are one shorter (3.13 Å) and two longer (3.16 Å) Li–Nd bond lengths. There are a spread of Li–Ge bond distances ranging from 2.57–2.74 Å. There are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 5-coordinate geometry to nine Ge atoms. There are a spread of Nd–Ge bond distances ranging from 3.13–3.33 Å. In the second Nd site, Nd is bonded in a 12-coordinate geometry to six equivalent Li and six Ge atoms. There are four shorter (3.12 Å) and two longer (3.19 Å) Nd–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to one Li, six Nd, and two equivalent Ge atoms. There are one shorter (2.51 Å) and one longer (2.54 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Li and three Nd atoms.},
doi = {10.17188/1738580},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}