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

Title: Materials Data on NdCrS3 by Materials Project

Abstract

NdCrS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Nd–S bond distances ranging from 2.93–3.24 Å. Cr3+ is bonded to six S2- atoms to form edge-sharing CrS6 octahedra. There are a spread of Cr–S bond distances ranging from 2.37–2.46 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Nd3+ and three equivalent Cr3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Nd3+ and two equivalent Cr3+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Nd3+ and one Cr3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-15931
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; NdCrS3; Cr-Nd-S
OSTI Identifier:
1191460
DOI:
https://doi.org/10.17188/1191460

Citation Formats

The Materials Project. Materials Data on NdCrS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191460.
The Materials Project. Materials Data on NdCrS3 by Materials Project. United States. doi:https://doi.org/10.17188/1191460
The Materials Project. 2020. "Materials Data on NdCrS3 by Materials Project". United States. doi:https://doi.org/10.17188/1191460. https://www.osti.gov/servlets/purl/1191460. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1191460,
title = {Materials Data on NdCrS3 by Materials Project},
author = {The Materials Project},
abstractNote = {NdCrS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Nd–S bond distances ranging from 2.93–3.24 Å. Cr3+ is bonded to six S2- atoms to form edge-sharing CrS6 octahedra. There are a spread of Cr–S bond distances ranging from 2.37–2.46 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Nd3+ and three equivalent Cr3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Nd3+ and two equivalent Cr3+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Nd3+ and one Cr3+ atom.},
doi = {10.17188/1191460},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}