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Title: Materials Data on BaNdO3 by Materials Project

Abstract

BaNdO3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ba is bonded in a distorted trigonal planar geometry to nine equivalent O atoms. There are three shorter (2.69 Å) and six longer (3.23 Å) Ba–O bond lengths. Nd is bonded to six equivalent O atoms to form corner-sharing NdO6 octahedra. The corner-sharing octahedral tilt angles are 27°. All Nd–O bond lengths are 2.34 Å. O is bonded in a 5-coordinate geometry to three equivalent Ba and two equivalent Nd atoms.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1289336
Report Number(s):
mp-754307
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; BaNdO3; Ba-Nd-O

Citation Formats

The Materials Project. Materials Data on BaNdO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289336.
The Materials Project. Materials Data on BaNdO3 by Materials Project. United States. https://doi.org/10.17188/1289336
The Materials Project. 2020. "Materials Data on BaNdO3 by Materials Project". United States. https://doi.org/10.17188/1289336. https://www.osti.gov/servlets/purl/1289336.
@article{osti_1289336,
title = {Materials Data on BaNdO3 by Materials Project},
author = {The Materials Project},
abstractNote = {BaNdO3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ba is bonded in a distorted trigonal planar geometry to nine equivalent O atoms. There are three shorter (2.69 Å) and six longer (3.23 Å) Ba–O bond lengths. Nd is bonded to six equivalent O atoms to form corner-sharing NdO6 octahedra. The corner-sharing octahedral tilt angles are 27°. All Nd–O bond lengths are 2.34 Å. O is bonded in a 5-coordinate geometry to three equivalent Ba and two equivalent Nd atoms.},
doi = {10.17188/1289336},
url = {https://www.osti.gov/biblio/1289336}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}