Materials Data on NdO3 by Materials Project

Dataset · Mon Jul 20 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1206307· OSTI ID:1206307

The Materials Project

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.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1206307
• Report Number(s): mp-32564
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
NdO3
Nd-O