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Title: Materials Data on La3BN2O3 by Materials Project

Abstract

La3BN2O3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to four N3- and four O2- atoms. There are two shorter (2.70 Å) and two longer (2.75 Å) La–N bond lengths. There are a spread of La–O bond distances ranging from 2.37–2.68 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to three N3- and five O2- atoms. There are one shorter (2.51 Å) and two longer (2.66 Å) La–N bond lengths. There are a spread of La–O bond distances ranging from 2.42–2.89 Å. In the third La3+ site, La3+ is bonded in a 2-coordinate geometry to three N3- and five O2- atoms. There are one shorter (2.62 Å) and two longer (2.83 Å) La–N bond lengths. There are a spread of La–O bond distances ranging from 2.29–2.81 Å. 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 1.45 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bondmore » geometry to five La3+ and one B3+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to five La3+ and one B3+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five La3+ and one B3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the third O2- site, O2- is bonded to four La3+ atoms to form corner-sharing OLa4 tetrahedra.« less

Publication Date:
Other Number(s):
mp-1019895
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; La3BN2O3; B-La-N-O
OSTI Identifier:
1350836
DOI:
10.17188/1350836

Citation Formats

The Materials Project. Materials Data on La3BN2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350836.
The Materials Project. Materials Data on La3BN2O3 by Materials Project. United States. doi:10.17188/1350836.
The Materials Project. 2020. "Materials Data on La3BN2O3 by Materials Project". United States. doi:10.17188/1350836. https://www.osti.gov/servlets/purl/1350836. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1350836,
title = {Materials Data on La3BN2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {La3BN2O3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to four N3- and four O2- atoms. There are two shorter (2.70 Å) and two longer (2.75 Å) La–N bond lengths. There are a spread of La–O bond distances ranging from 2.37–2.68 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to three N3- and five O2- atoms. There are one shorter (2.51 Å) and two longer (2.66 Å) La–N bond lengths. There are a spread of La–O bond distances ranging from 2.42–2.89 Å. In the third La3+ site, La3+ is bonded in a 2-coordinate geometry to three N3- and five O2- atoms. There are one shorter (2.62 Å) and two longer (2.83 Å) La–N bond lengths. There are a spread of La–O bond distances ranging from 2.29–2.81 Å. 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 1.45 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to five La3+ and one B3+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to five La3+ and one B3+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five La3+ and one B3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the third O2- site, O2- is bonded to four La3+ atoms to form corner-sharing OLa4 tetrahedra.},
doi = {10.17188/1350836},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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