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

Title: Materials Data on Ca3ZnSe4 by Materials Project

Abstract

Ca3ZnSe4 is Lavarevi\'{c}ite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent Se2- atoms to form CaSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with eight equivalent CaSe4 tetrahedra. All Ca–Se bond lengths are 2.84 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with twelve equivalent CaSe4 tetrahedra. All Zn–Se bond lengths are 2.54 Å. Se2- is bonded to three equivalent Ca2+ and one Zn2+ atom to form corner-sharing SeCa3Zn tetrahedra.

Publication Date:
Other Number(s):
mp-1079594
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; Ca3ZnSe4; Ca-Se-Zn
OSTI Identifier:
1745162
DOI:
https://doi.org/10.17188/1745162

Citation Formats

The Materials Project. Materials Data on Ca3ZnSe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1745162.
The Materials Project. Materials Data on Ca3ZnSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1745162
The Materials Project. 2020. "Materials Data on Ca3ZnSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1745162. https://www.osti.gov/servlets/purl/1745162. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1745162,
title = {Materials Data on Ca3ZnSe4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca3ZnSe4 is Lavarevi\'{c}ite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent Se2- atoms to form CaSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with eight equivalent CaSe4 tetrahedra. All Ca–Se bond lengths are 2.84 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with twelve equivalent CaSe4 tetrahedra. All Zn–Se bond lengths are 2.54 Å. Se2- is bonded to three equivalent Ca2+ and one Zn2+ atom to form corner-sharing SeCa3Zn tetrahedra.},
doi = {10.17188/1745162},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}