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Title: Materials Data on La4S3NCl3 by Materials Project

Abstract

La4NS3Cl3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 1-coordinate geometry to one N3-, four equivalent S2-, and three equivalent Cl1- atoms. The La–N bond length is 2.31 Å. There are two shorter (2.94 Å) and two longer (3.26 Å) La–S bond lengths. There are one shorter (2.98 Å) and two longer (3.01 Å) La–Cl bond lengths. In the second La3+ site, La3+ is bonded in a 1-coordinate geometry to one N3-, three equivalent S2-, and three equivalent Cl1- atoms. The La–N bond length is 2.43 Å. All La–S bond lengths are 2.88 Å. All La–Cl bond lengths are 3.34 Å. N3- is bonded in a tetrahedral geometry to four La3+ atoms. S2- is bonded in a 5-coordinate geometry to five La3+ atoms. Cl1- is bonded in a 4-coordinate geometry to four La3+ atoms.

Publication Date:
Other Number(s):
mp-559256
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; La4S3NCl3; Cl-La-N-S
OSTI Identifier:
1270745
DOI:
10.17188/1270745

Citation Formats

The Materials Project. Materials Data on La4S3NCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270745.
The Materials Project. Materials Data on La4S3NCl3 by Materials Project. United States. doi:10.17188/1270745.
The Materials Project. 2020. "Materials Data on La4S3NCl3 by Materials Project". United States. doi:10.17188/1270745. https://www.osti.gov/servlets/purl/1270745. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1270745,
title = {Materials Data on La4S3NCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {La4NS3Cl3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 1-coordinate geometry to one N3-, four equivalent S2-, and three equivalent Cl1- atoms. The La–N bond length is 2.31 Å. There are two shorter (2.94 Å) and two longer (3.26 Å) La–S bond lengths. There are one shorter (2.98 Å) and two longer (3.01 Å) La–Cl bond lengths. In the second La3+ site, La3+ is bonded in a 1-coordinate geometry to one N3-, three equivalent S2-, and three equivalent Cl1- atoms. The La–N bond length is 2.43 Å. All La–S bond lengths are 2.88 Å. All La–Cl bond lengths are 3.34 Å. N3- is bonded in a tetrahedral geometry to four La3+ atoms. S2- is bonded in a 5-coordinate geometry to five La3+ atoms. Cl1- is bonded in a 4-coordinate geometry to four La3+ atoms.},
doi = {10.17188/1270745},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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