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Title: Materials Data on NdGaO3 by Materials Project

Abstract

NdGaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.75 Å. Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles are 28°. There are four shorter (2.01 Å) and two longer (2.03 Å) Ga–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Nd3+ and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded to two equivalent Nd3+ and two equivalent Ga3+ atoms to form distorted corner-sharing ONd2Ga2 tetrahedra.

Publication Date:
Other Number(s):
mp-3196
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; NdGaO3; Ga-Nd-O
OSTI Identifier:
1206007
DOI:
https://doi.org/10.17188/1206007

Citation Formats

The Materials Project. Materials Data on NdGaO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206007.
The Materials Project. Materials Data on NdGaO3 by Materials Project. United States. doi:https://doi.org/10.17188/1206007
The Materials Project. 2020. "Materials Data on NdGaO3 by Materials Project". United States. doi:https://doi.org/10.17188/1206007. https://www.osti.gov/servlets/purl/1206007. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1206007,
title = {Materials Data on NdGaO3 by Materials Project},
author = {The Materials Project},
abstractNote = {NdGaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.75 Å. Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles are 28°. There are four shorter (2.01 Å) and two longer (2.03 Å) Ga–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Nd3+ and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded to two equivalent Nd3+ and two equivalent Ga3+ atoms to form distorted corner-sharing ONd2Ga2 tetrahedra.},
doi = {10.17188/1206007},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}