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Title: Materials Data on Se2NCl3 by Materials Project

Abstract

N2(Se2Cl3)2 is alpha carbon monoxide structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules and four Se2Cl3 clusters. In each Se2Cl3 cluster, there are two inequivalent Se1+ sites. In the first Se1+ site, Se1+ is bonded in a distorted linear geometry to two Cl1- atoms. There are one shorter (2.22 Å) and one longer (2.70 Å) Se–Cl bond lengths. In the second Se1+ site, Se1+ is bonded in a distorted linear geometry to two Cl1- atoms. There are one shorter (2.25 Å) and one longer (2.64 Å) Se–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Se1+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Se1+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Se1+ atom.

Publication Date:
Other Number(s):
mp-571134
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; Se2NCl3; Cl-N-Se
OSTI Identifier:
1276102
DOI:
https://doi.org/10.17188/1276102

Citation Formats

The Materials Project. Materials Data on Se2NCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276102.
The Materials Project. Materials Data on Se2NCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1276102
The Materials Project. 2020. "Materials Data on Se2NCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1276102. https://www.osti.gov/servlets/purl/1276102. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1276102,
title = {Materials Data on Se2NCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {N2(Se2Cl3)2 is alpha carbon monoxide structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules and four Se2Cl3 clusters. In each Se2Cl3 cluster, there are two inequivalent Se1+ sites. In the first Se1+ site, Se1+ is bonded in a distorted linear geometry to two Cl1- atoms. There are one shorter (2.22 Å) and one longer (2.70 Å) Se–Cl bond lengths. In the second Se1+ site, Se1+ is bonded in a distorted linear geometry to two Cl1- atoms. There are one shorter (2.25 Å) and one longer (2.64 Å) Se–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Se1+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Se1+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Se1+ atom.},
doi = {10.17188/1276102},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}