DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on GaBPbO4 by Materials Project

Abstract

PbGaBO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ga3+ is bonded to six O2- atoms to form edge-sharing GaO6 octahedra. There are a spread of Ga–O bond distances ranging from 1.91–2.12 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.39 Å. Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.36–2.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ga3+ and one B3+ atom. In the second O2- site, O2- is bonded to two equivalent Ga3+ and two equivalent Pb2+ atoms to form distorted corner-sharing OGa2Pb2 tetrahedra. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ga3+, one B3+, and one Pb2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-505743
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; GaBPbO4; B-Ga-O-Pb
OSTI Identifier:
1262732
DOI:
https://doi.org/10.17188/1262732

Citation Formats

The Materials Project. Materials Data on GaBPbO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262732.
The Materials Project. Materials Data on GaBPbO4 by Materials Project. United States. doi:https://doi.org/10.17188/1262732
The Materials Project. 2020. "Materials Data on GaBPbO4 by Materials Project". United States. doi:https://doi.org/10.17188/1262732. https://www.osti.gov/servlets/purl/1262732. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1262732,
title = {Materials Data on GaBPbO4 by Materials Project},
author = {The Materials Project},
abstractNote = {PbGaBO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ga3+ is bonded to six O2- atoms to form edge-sharing GaO6 octahedra. There are a spread of Ga–O bond distances ranging from 1.91–2.12 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.39 Å. Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.36–2.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ga3+ and one B3+ atom. In the second O2- site, O2- is bonded to two equivalent Ga3+ and two equivalent Pb2+ atoms to form distorted corner-sharing OGa2Pb2 tetrahedra. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ga3+, one B3+, and one Pb2+ atom.},
doi = {10.17188/1262732},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}