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Title: Materials Data on LaN3O13 by Materials Project

Abstract

LaN3O13 crystallizes in the orthorhombic Pbca space group. The structure is one-dimensional and consists of four LaN3O13 ribbons oriented in the (1, 0, 0) direction. La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.46–3.19 Å. There are three inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.22–1.30 Å. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.26 Å) and two longer (1.27 Å) N–O bond length. In the third N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.22 Å) and two longer (1.30 Å) N–O bond length. There are thirteen inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one La and one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site,more » O is bonded in a distorted linear geometry to one La and one N atom. In the fourth O site, O is bonded in a distorted L-shaped geometry to one La and one N atom. In the fifth O site, O is bonded in a distorted L-shaped geometry to one La and one N atom. In the sixth O site, O is bonded in a distorted L-shaped geometry to one La and one N atom. In the seventh O site, O is bonded in a distorted L-shaped geometry to one La and one O atom. The O–O bond length is 1.24 Å. In the eighth O site, O is bonded in a water-like geometry to one La and one N atom. In the ninth O site, O is bonded in a single-bond geometry to one N atom. In the tenth O site, O is bonded in a single-bond geometry to one O atom. In the eleventh O site, O is bonded in a distorted L-shaped geometry to one La and one N atom. In the twelfth O site, O is bonded in a distorted L-shaped geometry to one La and one N atom. In the thirteenth O site, O is bonded in a single-bond geometry to one O atom.« less

Publication Date:
Other Number(s):
mp-1182768
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; LaN3O13; La-N-O
OSTI Identifier:
1722307
DOI:
https://doi.org/10.17188/1722307

Citation Formats

The Materials Project. Materials Data on LaN3O13 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1722307.
The Materials Project. Materials Data on LaN3O13 by Materials Project. United States. doi:https://doi.org/10.17188/1722307
The Materials Project. 2019. "Materials Data on LaN3O13 by Materials Project". United States. doi:https://doi.org/10.17188/1722307. https://www.osti.gov/servlets/purl/1722307. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1722307,
title = {Materials Data on LaN3O13 by Materials Project},
author = {The Materials Project},
abstractNote = {LaN3O13 crystallizes in the orthorhombic Pbca space group. The structure is one-dimensional and consists of four LaN3O13 ribbons oriented in the (1, 0, 0) direction. La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.46–3.19 Å. There are three inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.22–1.30 Å. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.26 Å) and two longer (1.27 Å) N–O bond length. In the third N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.22 Å) and two longer (1.30 Å) N–O bond length. There are thirteen inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one La and one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site, O is bonded in a distorted linear geometry to one La and one N atom. In the fourth O site, O is bonded in a distorted L-shaped geometry to one La and one N atom. In the fifth O site, O is bonded in a distorted L-shaped geometry to one La and one N atom. In the sixth O site, O is bonded in a distorted L-shaped geometry to one La and one N atom. In the seventh O site, O is bonded in a distorted L-shaped geometry to one La and one O atom. The O–O bond length is 1.24 Å. In the eighth O site, O is bonded in a water-like geometry to one La and one N atom. In the ninth O site, O is bonded in a single-bond geometry to one N atom. In the tenth O site, O is bonded in a single-bond geometry to one O atom. In the eleventh O site, O is bonded in a distorted L-shaped geometry to one La and one N atom. In the twelfth O site, O is bonded in a distorted L-shaped geometry to one La and one N atom. In the thirteenth O site, O is bonded in a single-bond geometry to one O atom.},
doi = {10.17188/1722307},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}