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Title: Materials Data on NaSrBO3 by Materials Project

Abstract

NaSrBO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form face-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.31–2.65 Å. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.86 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.39 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, three equivalent Sr2+, and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, three equivalent Sr2+, and one B3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, three equivalent Sr2+, and one B3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-556695
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; NaSrBO3; B-Na-O-Sr
OSTI Identifier:
1269484
DOI:
10.17188/1269484

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NaSrBO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269484.
Persson, Kristin, & Project, Materials. Materials Data on NaSrBO3 by Materials Project. United States. doi:10.17188/1269484.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NaSrBO3 by Materials Project". United States. doi:10.17188/1269484. https://www.osti.gov/servlets/purl/1269484. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1269484,
title = {Materials Data on NaSrBO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NaSrBO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form face-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.31–2.65 Å. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.86 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.39 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, three equivalent Sr2+, and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, three equivalent Sr2+, and one B3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, three equivalent Sr2+, and one B3+ atom.},
doi = {10.17188/1269484},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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