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Title: Materials Data on La2BeGa2O7 by Materials Project

Abstract

BeLa2Ga2O7 is Esseneite-like structured and crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Be2+ is bonded to four equivalent O2- atoms to form BeO4 tetrahedra that share corners with four equivalent GaO4 tetrahedra. All Be–O bond lengths are 1.68 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.43–3.00 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share a cornercorner with one GaO4 tetrahedra and corners with two equivalent BeO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.83–1.87 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent La3+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Ga2 tetrahedra. In the second O2- site, O2- is bonded to three equivalent La3+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing OLa3Ga tetrahedra. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Be2+, two equivalent La3+, and one Ga3+ atom.

Publication Date:
Other Number(s):
mp-1211518
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; La2BeGa2O7; Be-Ga-La-O
OSTI Identifier:
1707002
DOI:
https://doi.org/10.17188/1707002

Citation Formats

The Materials Project. Materials Data on La2BeGa2O7 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1707002.
The Materials Project. Materials Data on La2BeGa2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1707002
The Materials Project. 2019. "Materials Data on La2BeGa2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1707002. https://www.osti.gov/servlets/purl/1707002. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1707002,
title = {Materials Data on La2BeGa2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {BeLa2Ga2O7 is Esseneite-like structured and crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Be2+ is bonded to four equivalent O2- atoms to form BeO4 tetrahedra that share corners with four equivalent GaO4 tetrahedra. All Be–O bond lengths are 1.68 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.43–3.00 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share a cornercorner with one GaO4 tetrahedra and corners with two equivalent BeO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.83–1.87 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent La3+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Ga2 tetrahedra. In the second O2- site, O2- is bonded to three equivalent La3+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing OLa3Ga tetrahedra. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Be2+, two equivalent La3+, and one Ga3+ atom.},
doi = {10.17188/1707002},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}