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Title: Materials Data on NdCrO3 by Materials Project

Abstract

NdCrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent O2- atoms to form NdO12 cuboctahedra that share corners with twelve equivalent NdO12 cuboctahedra, faces with six equivalent NdO12 cuboctahedra, and faces with eight equivalent CrO6 octahedra. All Nd–O bond lengths are 2.76 Å. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent CrO6 octahedra and faces with eight equivalent NdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–O bond lengths are 1.95 Å. O2- is bonded in a distorted linear geometry to four equivalent Nd3+ and two equivalent Cr3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-19062
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; NdCrO3; Cr-Nd-O
OSTI Identifier:
1193845
DOI:
https://doi.org/10.17188/1193845

Citation Formats

The Materials Project. Materials Data on NdCrO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1193845.
The Materials Project. Materials Data on NdCrO3 by Materials Project. United States. doi:https://doi.org/10.17188/1193845
The Materials Project. 2020. "Materials Data on NdCrO3 by Materials Project". United States. doi:https://doi.org/10.17188/1193845. https://www.osti.gov/servlets/purl/1193845. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1193845,
title = {Materials Data on NdCrO3 by Materials Project},
author = {The Materials Project},
abstractNote = {NdCrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent O2- atoms to form NdO12 cuboctahedra that share corners with twelve equivalent NdO12 cuboctahedra, faces with six equivalent NdO12 cuboctahedra, and faces with eight equivalent CrO6 octahedra. All Nd–O bond lengths are 2.76 Å. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent CrO6 octahedra and faces with eight equivalent NdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–O bond lengths are 1.95 Å. O2- is bonded in a distorted linear geometry to four equivalent Nd3+ and two equivalent Cr3+ atoms.},
doi = {10.17188/1193845},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Aug 03 00:00:00 EDT 2020},
month = {Mon Aug 03 00:00:00 EDT 2020}
}