DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Nd2Si3 by Materials Project

Abstract

Nd2Si3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Nd2+ sites. In the first Nd2+ site, Nd2+ is bonded in a 8-coordinate geometry to eight Si+1.33- atoms. There are a spread of Nd–Si bond distances ranging from 3.03–3.22 Å. In the second Nd2+ site, Nd2+ is bonded in a 10-coordinate geometry to ten Si+1.33- atoms. There are a spread of Nd–Si bond distances ranging from 3.07–3.21 Å. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 7-coordinate geometry to six Nd2+ and one Si+1.33- atom. The Si–Si bond length is 2.34 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 8-coordinate geometry to six Nd2+ and two equivalent Si+1.33- atoms. Both Si–Si bond lengths are 2.40 Å. In the third Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to six Nd2+ and three Si+1.33- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1220308
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; Nd2Si3; Nd-Si
OSTI Identifier:
1691411
DOI:
https://doi.org/10.17188/1691411

Citation Formats

The Materials Project. Materials Data on Nd2Si3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1691411.
The Materials Project. Materials Data on Nd2Si3 by Materials Project. United States. doi:https://doi.org/10.17188/1691411
The Materials Project. 2020. "Materials Data on Nd2Si3 by Materials Project". United States. doi:https://doi.org/10.17188/1691411. https://www.osti.gov/servlets/purl/1691411. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1691411,
title = {Materials Data on Nd2Si3 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2Si3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Nd2+ sites. In the first Nd2+ site, Nd2+ is bonded in a 8-coordinate geometry to eight Si+1.33- atoms. There are a spread of Nd–Si bond distances ranging from 3.03–3.22 Å. In the second Nd2+ site, Nd2+ is bonded in a 10-coordinate geometry to ten Si+1.33- atoms. There are a spread of Nd–Si bond distances ranging from 3.07–3.21 Å. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 7-coordinate geometry to six Nd2+ and one Si+1.33- atom. The Si–Si bond length is 2.34 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 8-coordinate geometry to six Nd2+ and two equivalent Si+1.33- atoms. Both Si–Si bond lengths are 2.40 Å. In the third Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to six Nd2+ and three Si+1.33- atoms.},
doi = {10.17188/1691411},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}