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Title: Materials Data on HoGaO3 by Materials Project

Abstract

HoGaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.23–2.71 Å. Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 36–38°. There are a spread of Ga–O bond distances ranging from 2.01–2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ho3+ and two equivalent Ga3+ atoms to form distorted corner-sharing OHo2Ga2 trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ho3+ and two equivalent Ga3+ atoms.

Publication Date:
Other Number(s):
mp-755416
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; HoGaO3; Ga-Ho-O
OSTI Identifier:
1289982
DOI:
10.17188/1289982

Citation Formats

The Materials Project. Materials Data on HoGaO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289982.
The Materials Project. Materials Data on HoGaO3 by Materials Project. United States. doi:10.17188/1289982.
The Materials Project. 2020. "Materials Data on HoGaO3 by Materials Project". United States. doi:10.17188/1289982. https://www.osti.gov/servlets/purl/1289982. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1289982,
title = {Materials Data on HoGaO3 by Materials Project},
author = {The Materials Project},
abstractNote = {HoGaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.23–2.71 Å. Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 36–38°. There are a spread of Ga–O bond distances ranging from 2.01–2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ho3+ and two equivalent Ga3+ atoms to form distorted corner-sharing OHo2Ga2 trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ho3+ and two equivalent Ga3+ atoms.},
doi = {10.17188/1289982},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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