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Title: Materials Data on ZrSe by Materials Project

Abstract

ZrSe is Millerite-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Zr2+ sites. In the first Zr2+ site, Zr2+ is bonded to five Se2- atoms to form a mixture of distorted edge and corner-sharing ZrSe5 trigonal bipyramids. There are a spread of Zr–Se bond distances ranging from 2.68–2.89 Å. In the second Zr2+ site, Zr2+ is bonded to five Se2- atoms to form a mixture of distorted edge and corner-sharing ZrSe5 trigonal bipyramids. There are a spread of Zr–Se bond distances ranging from 2.68–2.89 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Zr2+ atoms to form a mixture of distorted edge and corner-sharing SeZr5 square pyramids. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to five Zr2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1215280
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; ZrSe; Se-Zr
OSTI Identifier:
1681607
DOI:
https://doi.org/10.17188/1681607

Citation Formats

The Materials Project. Materials Data on ZrSe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1681607.
The Materials Project. Materials Data on ZrSe by Materials Project. United States. doi:https://doi.org/10.17188/1681607
The Materials Project. 2020. "Materials Data on ZrSe by Materials Project". United States. doi:https://doi.org/10.17188/1681607. https://www.osti.gov/servlets/purl/1681607. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1681607,
title = {Materials Data on ZrSe by Materials Project},
author = {The Materials Project},
abstractNote = {ZrSe is Millerite-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Zr2+ sites. In the first Zr2+ site, Zr2+ is bonded to five Se2- atoms to form a mixture of distorted edge and corner-sharing ZrSe5 trigonal bipyramids. There are a spread of Zr–Se bond distances ranging from 2.68–2.89 Å. In the second Zr2+ site, Zr2+ is bonded to five Se2- atoms to form a mixture of distorted edge and corner-sharing ZrSe5 trigonal bipyramids. There are a spread of Zr–Se bond distances ranging from 2.68–2.89 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Zr2+ atoms to form a mixture of distorted edge and corner-sharing SeZr5 square pyramids. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to five Zr2+ atoms.},
doi = {10.17188/1681607},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}