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Title: Materials Data on ZnSe2 by Materials Project

Abstract

ZnSe2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Zn2+ is bonded to six equivalent Se1- atoms to form ZnSe6 octahedra that share corners with twelve equivalent ZnSe6 octahedra and corners with six equivalent SeZn3Se tetrahedra. The corner-sharing octahedral tilt angles are 66°. All Zn–Se bond lengths are 2.68 Å. Se1- is bonded to three equivalent Zn2+ and one Se1- atom to form distorted SeZn3Se tetrahedra that share corners with three equivalent ZnSe6 octahedra and corners with fifteen equivalent SeZn3Se tetrahedra. The corner-sharing octahedral tilt angles are 76°. The Se–Se bond length is 2.40 Å.

Publication Date:
Other Number(s):
mp-1102515
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; ZnSe2; Se-Zn
OSTI Identifier:
1749639
DOI:
https://doi.org/10.17188/1749639

Citation Formats

The Materials Project. Materials Data on ZnSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749639.
The Materials Project. Materials Data on ZnSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1749639
The Materials Project. 2020. "Materials Data on ZnSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1749639. https://www.osti.gov/servlets/purl/1749639. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1749639,
title = {Materials Data on ZnSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnSe2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Zn2+ is bonded to six equivalent Se1- atoms to form ZnSe6 octahedra that share corners with twelve equivalent ZnSe6 octahedra and corners with six equivalent SeZn3Se tetrahedra. The corner-sharing octahedral tilt angles are 66°. All Zn–Se bond lengths are 2.68 Å. Se1- is bonded to three equivalent Zn2+ and one Se1- atom to form distorted SeZn3Se tetrahedra that share corners with three equivalent ZnSe6 octahedra and corners with fifteen equivalent SeZn3Se tetrahedra. The corner-sharing octahedral tilt angles are 76°. The Se–Se bond length is 2.40 Å.},
doi = {10.17188/1749639},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}