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Title: Materials Data on LaVN3 by Materials Project

Abstract

LaVN3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight N+2.67- atoms. There are a spread of La–N bond distances ranging from 2.52–2.81 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight N+2.67- atoms. There are a spread of La–N bond distances ranging from 2.50–3.13 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a 5-coordinate geometry to five N+2.67- atoms. There are a spread of V–N bond distances ranging from 1.74–2.00 Å. In the second V5+ site, V5+ is bonded to five N+2.67- atoms to form distorted corner-sharing VN5 trigonal bipyramids. There are a spread of V–N bond distances ranging from 1.74–2.08 Å. There are six inequivalent N+2.67- sites. In the first N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to two equivalent La3+, two V5+, and one N+2.67- atom. The N–N bond length is 1.41 Å. In the second N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to two La3+, two equivalent V5+, and one N+2.67- atom. In the third N+2.67-more » site, N+2.67- is bonded in a 1-coordinate geometry to four La3+ and one V5+ atom. In the fourth N+2.67- site, N+2.67- is bonded in a 4-coordinate geometry to two La3+ and two equivalent V5+ atoms. In the fifth N+2.67- site, N+2.67- is bonded in a distorted rectangular see-saw-like geometry to two equivalent La3+ and two V5+ atoms. In the sixth N+2.67- site, N+2.67- is bonded in a distorted single-bond geometry to four La3+ and one V5+ atom.« less

Publication Date:
Other Number(s):
mp-989403
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; LaVN3; La-N-V
OSTI Identifier:
1316795
DOI:
https://doi.org/10.17188/1316795

Citation Formats

The Materials Project. Materials Data on LaVN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316795.
The Materials Project. Materials Data on LaVN3 by Materials Project. United States. doi:https://doi.org/10.17188/1316795
The Materials Project. 2020. "Materials Data on LaVN3 by Materials Project". United States. doi:https://doi.org/10.17188/1316795. https://www.osti.gov/servlets/purl/1316795. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316795,
title = {Materials Data on LaVN3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaVN3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight N+2.67- atoms. There are a spread of La–N bond distances ranging from 2.52–2.81 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight N+2.67- atoms. There are a spread of La–N bond distances ranging from 2.50–3.13 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a 5-coordinate geometry to five N+2.67- atoms. There are a spread of V–N bond distances ranging from 1.74–2.00 Å. In the second V5+ site, V5+ is bonded to five N+2.67- atoms to form distorted corner-sharing VN5 trigonal bipyramids. There are a spread of V–N bond distances ranging from 1.74–2.08 Å. There are six inequivalent N+2.67- sites. In the first N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to two equivalent La3+, two V5+, and one N+2.67- atom. The N–N bond length is 1.41 Å. In the second N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to two La3+, two equivalent V5+, and one N+2.67- atom. In the third N+2.67- site, N+2.67- is bonded in a 1-coordinate geometry to four La3+ and one V5+ atom. In the fourth N+2.67- site, N+2.67- is bonded in a 4-coordinate geometry to two La3+ and two equivalent V5+ atoms. In the fifth N+2.67- site, N+2.67- is bonded in a distorted rectangular see-saw-like geometry to two equivalent La3+ and two V5+ atoms. In the sixth N+2.67- site, N+2.67- is bonded in a distorted single-bond geometry to four La3+ and one V5+ atom.},
doi = {10.17188/1316795},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}