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Title: Materials Data on BaNdO3 by Materials Project

Abstract

BaNdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded to twelve equivalent O atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent NdO6 octahedra. All Ba–O bond lengths are 3.22 Å. Nd is bonded to six equivalent O atoms to form NdO6 octahedra that share corners with six equivalent NdO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–O bond lengths are 2.28 Å. O is bonded in a distorted linear geometry to four equivalent Ba and two equivalent Nd atoms.

Publication Date:
Other Number(s):
mp-755877
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; BaNdO3; Ba-Nd-O
OSTI Identifier:
1290251
DOI:
10.17188/1290251

Citation Formats

The Materials Project. Materials Data on BaNdO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290251.
The Materials Project. Materials Data on BaNdO3 by Materials Project. United States. doi:10.17188/1290251.
The Materials Project. 2020. "Materials Data on BaNdO3 by Materials Project". United States. doi:10.17188/1290251. https://www.osti.gov/servlets/purl/1290251. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1290251,
title = {Materials Data on BaNdO3 by Materials Project},
author = {The Materials Project},
abstractNote = {BaNdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded to twelve equivalent O atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent NdO6 octahedra. All Ba–O bond lengths are 3.22 Å. Nd is bonded to six equivalent O atoms to form NdO6 octahedra that share corners with six equivalent NdO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–O bond lengths are 2.28 Å. O is bonded in a distorted linear geometry to four equivalent Ba and two equivalent Nd atoms.},
doi = {10.17188/1290251},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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