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Title: Materials Data on NdBO3 by Materials Project

Abstract

NdBO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.40–2.71 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.38 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Nd3+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Nd3+ and one B3+ atom.

Publication Date:
Other Number(s):
mp-7238
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; NdBO3; B-Nd-O
OSTI Identifier:
1287610
DOI:
10.17188/1287610

Citation Formats

The Materials Project. Materials Data on NdBO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287610.
The Materials Project. Materials Data on NdBO3 by Materials Project. United States. doi:10.17188/1287610.
The Materials Project. 2020. "Materials Data on NdBO3 by Materials Project". United States. doi:10.17188/1287610. https://www.osti.gov/servlets/purl/1287610. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1287610,
title = {Materials Data on NdBO3 by Materials Project},
author = {The Materials Project},
abstractNote = {NdBO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.40–2.71 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.38 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Nd3+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Nd3+ and one B3+ atom.},
doi = {10.17188/1287610},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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