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Title: Materials Data on NdVO3 by Materials Project

Abstract

NdVO3 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 VO6 octahedra. All Nd–O bond lengths are 2.77 Å. V3+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent NdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 1.96 Å. O2- is bonded in a distorted linear geometry to four equivalent Nd3+ and two equivalent V3+ atoms.

Publication Date:
Other Number(s):
mp-19253
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NdVO3; Nd-O-V
OSTI Identifier:
1194137
DOI:
https://doi.org/10.17188/1194137

Citation Formats

The Materials Project. Materials Data on NdVO3 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1194137.
The Materials Project. Materials Data on NdVO3 by Materials Project. United States. doi:https://doi.org/10.17188/1194137
The Materials Project. 2014. "Materials Data on NdVO3 by Materials Project". United States. doi:https://doi.org/10.17188/1194137. https://www.osti.gov/servlets/purl/1194137. Pub date:Sat Feb 15 00:00:00 EST 2014
@article{osti_1194137,
title = {Materials Data on NdVO3 by Materials Project},
author = {The Materials Project},
abstractNote = {NdVO3 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 VO6 octahedra. All Nd–O bond lengths are 2.77 Å. V3+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent NdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 1.96 Å. O2- is bonded in a distorted linear geometry to four equivalent Nd3+ and two equivalent V3+ atoms.},
doi = {10.17188/1194137},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}