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Title: Materials Data on SrAlBO4 by Materials Project

Abstract

SrAlBO4 crystallizes in the orthorhombic Pccn space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–3.04 Å. Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.76–1.81 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.37–1.40 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Sr2+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Sr2+ and one B3+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Sr2+, one Al3+, and one B3+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Al3+, and one B3+ atom.

Publication Date:
Other Number(s):
mp-21563
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; SrAlBO4; Al-B-O-Sr
OSTI Identifier:
1196998
DOI:
https://doi.org/10.17188/1196998

Citation Formats

The Materials Project. Materials Data on SrAlBO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1196998.
The Materials Project. Materials Data on SrAlBO4 by Materials Project. United States. doi:https://doi.org/10.17188/1196998
The Materials Project. 2020. "Materials Data on SrAlBO4 by Materials Project". United States. doi:https://doi.org/10.17188/1196998. https://www.osti.gov/servlets/purl/1196998. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1196998,
title = {Materials Data on SrAlBO4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrAlBO4 crystallizes in the orthorhombic Pccn space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–3.04 Å. Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.76–1.81 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.37–1.40 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Sr2+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Sr2+ and one B3+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Sr2+, one Al3+, and one B3+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Al3+, and one B3+ atom.},
doi = {10.17188/1196998},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}