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Title: Materials Data on LaCN2Cl by Materials Project

Abstract

LaCN2Cl crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to five N3- and four equivalent Cl1- atoms. There are a spread of La–N bond distances ranging from 2.56–2.67 Å. There are a spread of La–Cl bond distances ranging from 3.06–3.21 Å. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.22 Å) and one longer (1.25 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent La3+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent La3+ and one C4+ atom. Cl1- is bonded in a 4-coordinate geometry to four equivalent La3+ atoms.

Publication Date:
Other Number(s):
mp-567373
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; LaCN2Cl; C-Cl-La-N
OSTI Identifier:
1273838
DOI:
10.17188/1273838

Citation Formats

The Materials Project. Materials Data on LaCN2Cl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273838.
The Materials Project. Materials Data on LaCN2Cl by Materials Project. United States. doi:10.17188/1273838.
The Materials Project. 2020. "Materials Data on LaCN2Cl by Materials Project". United States. doi:10.17188/1273838. https://www.osti.gov/servlets/purl/1273838. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1273838,
title = {Materials Data on LaCN2Cl by Materials Project},
author = {The Materials Project},
abstractNote = {LaCN2Cl crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to five N3- and four equivalent Cl1- atoms. There are a spread of La–N bond distances ranging from 2.56–2.67 Å. There are a spread of La–Cl bond distances ranging from 3.06–3.21 Å. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.22 Å) and one longer (1.25 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent La3+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent La3+ and one C4+ atom. Cl1- is bonded in a 4-coordinate geometry to four equivalent La3+ atoms.},
doi = {10.17188/1273838},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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