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Title: Materials Data on LaCN2F by Materials Project

Abstract

LaCN2F crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to six equivalent N3- and three equivalent F1- atoms. There are four shorter (2.61 Å) and two longer (2.70 Å) La–N bond lengths. There are two shorter (2.60 Å) and one longer (2.66 Å) La–F bond lengths. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.23 Å. N3- is bonded in a distorted single-bond geometry to three equivalent La3+ and one C4+ atom. F1- is bonded in a 3-coordinate geometry to three equivalent La3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-556405
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; LaCN2F; C-F-La-N
OSTI Identifier:
1269331
DOI:
10.17188/1269331

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LaCN2F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269331.
Persson, Kristin, & Project, Materials. Materials Data on LaCN2F by Materials Project. United States. doi:10.17188/1269331.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on LaCN2F by Materials Project". United States. doi:10.17188/1269331. https://www.osti.gov/servlets/purl/1269331. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1269331,
title = {Materials Data on LaCN2F by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {LaCN2F crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to six equivalent N3- and three equivalent F1- atoms. There are four shorter (2.61 Å) and two longer (2.70 Å) La–N bond lengths. There are two shorter (2.60 Å) and one longer (2.66 Å) La–F bond lengths. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.23 Å. N3- is bonded in a distorted single-bond geometry to three equivalent La3+ and one C4+ atom. F1- is bonded in a 3-coordinate geometry to three equivalent La3+ atoms.},
doi = {10.17188/1269331},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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