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Title: Materials Data on BaAl2Sb2O7 by Materials Project

Abstract

BaAl2Sb2O7 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- atoms to form distorted BaO6 pentagonal pyramids that share corners with six equivalent AlO4 tetrahedra. All Ba–O bond lengths are 2.82 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with three equivalent BaO6 pentagonal pyramids and a cornercorner with one AlO4 tetrahedra. There is one shorter (1.73 Å) and three longer (1.79 Å) Al–O bond length. Sb3+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Sb–O bond lengths are 1.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ba2+, one Al3+, and one Sb3+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Al3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-12885
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; BaAl2Sb2O7; Al-Ba-O-Sb
OSTI Identifier:
1189245
DOI:
10.17188/1189245

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on BaAl2Sb2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189245.
Persson, Kristin, & Project, Materials. Materials Data on BaAl2Sb2O7 by Materials Project. United States. doi:10.17188/1189245.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on BaAl2Sb2O7 by Materials Project". United States. doi:10.17188/1189245. https://www.osti.gov/servlets/purl/1189245. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1189245,
title = {Materials Data on BaAl2Sb2O7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {BaAl2Sb2O7 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- atoms to form distorted BaO6 pentagonal pyramids that share corners with six equivalent AlO4 tetrahedra. All Ba–O bond lengths are 2.82 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with three equivalent BaO6 pentagonal pyramids and a cornercorner with one AlO4 tetrahedra. There is one shorter (1.73 Å) and three longer (1.79 Å) Al–O bond length. Sb3+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Sb–O bond lengths are 1.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ba2+, one Al3+, and one Sb3+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Al3+ atoms.},
doi = {10.17188/1189245},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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