U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2Nd2Si3 by Materials Project
Abstract
Nd2Li2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to three equivalent Nd and four Si atoms to form a mixture of distorted edge, face, and corner-sharing LiNd3Si4 tetrahedra. There are two shorter (3.11 Å) and one longer (3.12 Å) Li–Nd bond lengths. There are a spread of Li–Si bond distances ranging from 2.59–2.72 Å. There are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to six equivalent Li and six Si atoms. There are four shorter (3.12 Å) and two longer (3.16 Å) Nd–Si bond lengths. In the second Nd site, Nd is bonded in a 9-coordinate geometry to nine Si atoms. There are a spread of Nd–Si bond distances ranging from 3.11–3.23 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 6-coordinate geometry to six equivalent Li and three Nd atoms. In the second Si site, Si is bonded in a 1-coordinate geometry to one Li, six Nd, and two equivalent Si atoms. There are one shorter (2.38 Å) and one longer (2.39 Å) Si–Si bond lengths.
- Authors:
- Publication Date:
- Other Number(s):
- mp-571109
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Li2Nd2Si3; Li-Nd-Si
- OSTI Identifier:
- 1276095
- DOI:
- https://doi.org/10.17188/1276095
Citation Formats
The Materials Project. Materials Data on Li2Nd2Si3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1276095.
The Materials Project. Materials Data on Li2Nd2Si3 by Materials Project. United States. doi:https://doi.org/10.17188/1276095
The Materials Project. 2020.
"Materials Data on Li2Nd2Si3 by Materials Project". United States. doi:https://doi.org/10.17188/1276095. https://www.osti.gov/servlets/purl/1276095. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1276095,
title = {Materials Data on Li2Nd2Si3 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2Li2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to three equivalent Nd and four Si atoms to form a mixture of distorted edge, face, and corner-sharing LiNd3Si4 tetrahedra. There are two shorter (3.11 Å) and one longer (3.12 Å) Li–Nd bond lengths. There are a spread of Li–Si bond distances ranging from 2.59–2.72 Å. There are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to six equivalent Li and six Si atoms. There are four shorter (3.12 Å) and two longer (3.16 Å) Nd–Si bond lengths. In the second Nd site, Nd is bonded in a 9-coordinate geometry to nine Si atoms. There are a spread of Nd–Si bond distances ranging from 3.11–3.23 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 6-coordinate geometry to six equivalent Li and three Nd atoms. In the second Si site, Si is bonded in a 1-coordinate geometry to one Li, six Nd, and two equivalent Si atoms. There are one shorter (2.38 Å) and one longer (2.39 Å) Si–Si bond lengths.},
doi = {10.17188/1276095},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}