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Title: Materials Data on Zn(WSe2)2 by Materials Project

Abstract

WSe2WZnSe2 crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one WSe2 sheet oriented in the (0, 0, 1) direction and one WZnSe2 sheet oriented in the (0, 0, 1) direction. In the WSe2 sheet, W3+ is bonded to six Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. All W–Se bond lengths are 2.55 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent W3+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent W3+ atoms. In the WZnSe2 sheet, W3+ is bonded to six Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. All W–Se bond lengths are 2.55 Å. Zn2+ is bonded in a single-bond geometry to one Se2- atom. The Zn–Se bond length is 3.21 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent W3+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent W3+ and one Zn2+ atom.

Publication Date:
Other Number(s):
mp-1215800
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; Zn(WSe2)2; Se-W-Zn
OSTI Identifier:
1716884
DOI:
https://doi.org/10.17188/1716884

Citation Formats

The Materials Project. Materials Data on Zn(WSe2)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1716884.
The Materials Project. Materials Data on Zn(WSe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1716884
The Materials Project. 2019. "Materials Data on Zn(WSe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1716884. https://www.osti.gov/servlets/purl/1716884. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1716884,
title = {Materials Data on Zn(WSe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {WSe2WZnSe2 crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one WSe2 sheet oriented in the (0, 0, 1) direction and one WZnSe2 sheet oriented in the (0, 0, 1) direction. In the WSe2 sheet, W3+ is bonded to six Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. All W–Se bond lengths are 2.55 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent W3+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent W3+ atoms. In the WZnSe2 sheet, W3+ is bonded to six Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. All W–Se bond lengths are 2.55 Å. Zn2+ is bonded in a single-bond geometry to one Se2- atom. The Zn–Se bond length is 3.21 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent W3+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent W3+ and one Zn2+ atom.},
doi = {10.17188/1716884},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}