skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on W2NCl8 by Materials Project

Abstract

W2NCl8 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one W2NCl8 ribbon oriented in the (0, 0, 1) direction. W+5.50+ is bonded to one N3- and five Cl1- atoms to form a mixture of distorted edge and corner-sharing WNCl5 octahedra. The corner-sharing octahedral tilt angles are 0°. The W–N bond length is 1.83 Å. There are a spread of W–Cl bond distances ranging from 2.29–2.68 Å. N3- is bonded in a linear geometry to two equivalent W+5.50+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one W+5.50+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent W+5.50+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one W+5.50+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one W+5.50+ atom.

Publication Date:
Other Number(s):
mp-570568
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; W2NCl8; Cl-N-W
OSTI Identifier:
1275792
DOI:
10.17188/1275792

Citation Formats

The Materials Project. Materials Data on W2NCl8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275792.
The Materials Project. Materials Data on W2NCl8 by Materials Project. United States. doi:10.17188/1275792.
The Materials Project. 2020. "Materials Data on W2NCl8 by Materials Project". United States. doi:10.17188/1275792. https://www.osti.gov/servlets/purl/1275792. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1275792,
title = {Materials Data on W2NCl8 by Materials Project},
author = {The Materials Project},
abstractNote = {W2NCl8 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one W2NCl8 ribbon oriented in the (0, 0, 1) direction. W+5.50+ is bonded to one N3- and five Cl1- atoms to form a mixture of distorted edge and corner-sharing WNCl5 octahedra. The corner-sharing octahedral tilt angles are 0°. The W–N bond length is 1.83 Å. There are a spread of W–Cl bond distances ranging from 2.29–2.68 Å. N3- is bonded in a linear geometry to two equivalent W+5.50+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one W+5.50+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent W+5.50+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one W+5.50+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one W+5.50+ atom.},
doi = {10.17188/1275792},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: