Materials Data on NdO3 by Materials Project
Abstract
NdO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.71 Å. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Nd atoms. In the second O site, O is bonded in a linear geometry to two equivalent Nd atoms. In the third O site, O is bonded in a 5-coordinate geometry to three equivalent Nd and two equivalent O atoms. Both O–O bond lengths are 1.84 Å. In the fourth O site, O is bonded in a square co-planar geometry to four equivalent Nd atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-32564
- 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; NdO3; Nd-O
- OSTI Identifier:
- 1206307
- DOI:
- https://doi.org/10.17188/1206307
Citation Formats
The Materials Project. Materials Data on NdO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1206307.
The Materials Project. Materials Data on NdO3 by Materials Project. United States. doi:https://doi.org/10.17188/1206307
The Materials Project. 2020.
"Materials Data on NdO3 by Materials Project". United States. doi:https://doi.org/10.17188/1206307. https://www.osti.gov/servlets/purl/1206307. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1206307,
title = {Materials Data on NdO3 by Materials Project},
author = {The Materials Project},
abstractNote = {NdO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.71 Å. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Nd atoms. In the second O site, O is bonded in a linear geometry to two equivalent Nd atoms. In the third O site, O is bonded in a 5-coordinate geometry to three equivalent Nd and two equivalent O atoms. Both O–O bond lengths are 1.84 Å. In the fourth O site, O is bonded in a square co-planar geometry to four equivalent Nd atoms.},
doi = {10.17188/1206307},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 20 00:00:00 EDT 2020},
month = {Mon Jul 20 00:00:00 EDT 2020}
}
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