skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SrBNO by Materials Project

Abstract

SrBNO crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to three N3- and five O2- atoms. There are a spread of Sr–N bond distances ranging from 2.73–2.95 Å. There are a spread of Sr–O bond distances ranging from 2.51–2.72 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to three N3- and three O2- atoms. There are two shorter (2.69 Å) and one longer (2.73 Å) Sr–N bond lengths. There are a spread of Sr–O bond distances ranging from 2.45–2.60 Å. In the third Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to four N3- and five O2- atoms. There are a spread of Sr–N bond distances ranging from 2.57–2.94 Å. There are a spread of Sr–O bond distances ranging from 2.55–3.09 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to two N3- and one O2- atom. There is one shorter (1.46 Å) and one longer (1.47 Å) B–N bond length. The B–O bond length is 1.42 Å. In the second B3+more » site, B3+ is bonded in a trigonal planar geometry to two N3- and one O2- atom. There is one shorter (1.46 Å) and one longer (1.47 Å) B–N bond length. The B–O bond length is 1.41 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to two N3- and one O2- atom. Both B–N bond lengths are 1.46 Å. The B–O bond length is 1.43 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 120 degrees geometry to four Sr2+ and two B3+ atoms. In the second N3- site, N3- is bonded in a distorted bent 120 degrees geometry to three Sr2+ and two B3+ atoms. In the third N3- site, N3- is bonded in a distorted bent 120 degrees geometry to three Sr2+ and two B3+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four Sr2+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Sr2+ and one B3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Sr2+ and one B3+ atom.« less

Publication Date:
Other Number(s):
mp-554759
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; SrBNO; B-N-O-Sr
OSTI Identifier:
1268085
DOI:
10.17188/1268085

Citation Formats

The Materials Project. Materials Data on SrBNO by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1268085.
The Materials Project. Materials Data on SrBNO by Materials Project. United States. doi:10.17188/1268085.
The Materials Project. 2017. "Materials Data on SrBNO by Materials Project". United States. doi:10.17188/1268085. https://www.osti.gov/servlets/purl/1268085. Pub date:Sat May 20 00:00:00 EDT 2017
@article{osti_1268085,
title = {Materials Data on SrBNO by Materials Project},
author = {The Materials Project},
abstractNote = {SrBNO crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to three N3- and five O2- atoms. There are a spread of Sr–N bond distances ranging from 2.73–2.95 Å. There are a spread of Sr–O bond distances ranging from 2.51–2.72 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to three N3- and three O2- atoms. There are two shorter (2.69 Å) and one longer (2.73 Å) Sr–N bond lengths. There are a spread of Sr–O bond distances ranging from 2.45–2.60 Å. In the third Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to four N3- and five O2- atoms. There are a spread of Sr–N bond distances ranging from 2.57–2.94 Å. There are a spread of Sr–O bond distances ranging from 2.55–3.09 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to two N3- and one O2- atom. There is one shorter (1.46 Å) and one longer (1.47 Å) B–N bond length. The B–O bond length is 1.42 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to two N3- and one O2- atom. There is one shorter (1.46 Å) and one longer (1.47 Å) B–N bond length. The B–O bond length is 1.41 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to two N3- and one O2- atom. Both B–N bond lengths are 1.46 Å. The B–O bond length is 1.43 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 120 degrees geometry to four Sr2+ and two B3+ atoms. In the second N3- site, N3- is bonded in a distorted bent 120 degrees geometry to three Sr2+ and two B3+ atoms. In the third N3- site, N3- is bonded in a distorted bent 120 degrees geometry to three Sr2+ and two B3+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four Sr2+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Sr2+ and one B3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Sr2+ and one B3+ atom.},
doi = {10.17188/1268085},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

Dataset:

Save / Share: