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Title: Materials Data on NdCrSe3 by Materials Project

Abstract

NdCrSe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Nd–Se bond distances ranging from 3.07–3.29 Å. Cr3+ is bonded to six Se2- atoms to form edge-sharing CrSe6 octahedra. There are a spread of Cr–Se bond distances ranging from 2.51–2.59 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Nd3+ and three equivalent Cr3+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Nd3+ and two equivalent Cr3+ atoms. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Nd3+ and one Cr3+ atom.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1310160
Report Number(s):
mp-864797
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; NdCrSe3; Cr-Nd-Se

Citation Formats

The Materials Project. Materials Data on NdCrSe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1310160.
The Materials Project. Materials Data on NdCrSe3 by Materials Project. United States. https://doi.org/10.17188/1310160
The Materials Project. 2020. "Materials Data on NdCrSe3 by Materials Project". United States. https://doi.org/10.17188/1310160. https://www.osti.gov/servlets/purl/1310160.
@article{osti_1310160,
title = {Materials Data on NdCrSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {NdCrSe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Nd–Se bond distances ranging from 3.07–3.29 Å. Cr3+ is bonded to six Se2- atoms to form edge-sharing CrSe6 octahedra. There are a spread of Cr–Se bond distances ranging from 2.51–2.59 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Nd3+ and three equivalent Cr3+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Nd3+ and two equivalent Cr3+ atoms. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Nd3+ and one Cr3+ atom.},
doi = {10.17188/1310160},
url = {https://www.osti.gov/biblio/1310160}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}