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Title: Materials Data on WI2 by Materials Project

Abstract

WI2 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two WI2 sheets oriented in the (0, 1, 0) direction. there are three inequivalent W2+ sites. In the first W2+ site, W2+ is bonded to five I1- atoms to form edge-sharing WI5 square pyramids. There are four shorter (2.83 Å) and one longer (2.84 Å) W–I bond lengths. In the second W2+ site, W2+ is bonded to five I1- atoms to form a mixture of corner and edge-sharing WI5 square pyramids. There are a spread of W–I bond distances ranging from 2.81–2.96 Å. In the third W2+ site, W2+ is bonded to five I1- atoms to form a mixture of corner and edge-sharing WI5 square pyramids. There are a spread of W–I bond distances ranging from 2.81–2.96 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted bent 150 degrees geometry to two W2+ atoms. In the second I1- site, I1- is bonded in a 11-coordinate geometry to three W2+ atoms. In the third I1- site, I1- is bonded in a single-bond geometry to one W2+ atom. In the fourth I1- site, I1- is bonded in amore » 12-coordinate geometry to three W2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1207889
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; WI2; I-W
OSTI Identifier:
1751579
DOI:
https://doi.org/10.17188/1751579

Citation Formats

The Materials Project. Materials Data on WI2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751579.
The Materials Project. Materials Data on WI2 by Materials Project. United States. doi:https://doi.org/10.17188/1751579
The Materials Project. 2020. "Materials Data on WI2 by Materials Project". United States. doi:https://doi.org/10.17188/1751579. https://www.osti.gov/servlets/purl/1751579. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1751579,
title = {Materials Data on WI2 by Materials Project},
author = {The Materials Project},
abstractNote = {WI2 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two WI2 sheets oriented in the (0, 1, 0) direction. there are three inequivalent W2+ sites. In the first W2+ site, W2+ is bonded to five I1- atoms to form edge-sharing WI5 square pyramids. There are four shorter (2.83 Å) and one longer (2.84 Å) W–I bond lengths. In the second W2+ site, W2+ is bonded to five I1- atoms to form a mixture of corner and edge-sharing WI5 square pyramids. There are a spread of W–I bond distances ranging from 2.81–2.96 Å. In the third W2+ site, W2+ is bonded to five I1- atoms to form a mixture of corner and edge-sharing WI5 square pyramids. There are a spread of W–I bond distances ranging from 2.81–2.96 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted bent 150 degrees geometry to two W2+ atoms. In the second I1- site, I1- is bonded in a 11-coordinate geometry to three W2+ atoms. In the third I1- site, I1- is bonded in a single-bond geometry to one W2+ atom. In the fourth I1- site, I1- is bonded in a 12-coordinate geometry to three W2+ atoms.},
doi = {10.17188/1751579},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}