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Title: Materials Data on Sm2BeGa2O7 by Materials Project

Abstract

BeSm2Ga2O7 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 1.66 Å. Sm3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.37–2.46 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 1.84–1.87 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing OSm2Ga2 tetrahedra. In the second O2- site, O2- is bonded to three equivalent Sm3+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing OSm3Ga tetrahedra. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Be2+, one Sm3+, and one Ga3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1209039
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; Sm2BeGa2O7; Be-Ga-O-Sm
OSTI Identifier:
1689677
DOI:
https://doi.org/10.17188/1689677

Citation Formats

The Materials Project. Materials Data on Sm2BeGa2O7 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1689677.
The Materials Project. Materials Data on Sm2BeGa2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1689677
The Materials Project. 2019. "Materials Data on Sm2BeGa2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1689677. https://www.osti.gov/servlets/purl/1689677. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1689677,
title = {Materials Data on Sm2BeGa2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {BeSm2Ga2O7 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 1.66 Å. Sm3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.37–2.46 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 1.84–1.87 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing OSm2Ga2 tetrahedra. In the second O2- site, O2- is bonded to three equivalent Sm3+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing OSm3Ga tetrahedra. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Be2+, one Sm3+, and one Ga3+ atom.},
doi = {10.17188/1689677},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}