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Title: Materials Data on CaZn3 by Materials Project

Abstract

CaZn3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 10-coordinate geometry to fourteen Zn atoms. There are a spread of Ca–Zn bond distances ranging from 2.93–3.51 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 2-coordinate geometry to six equivalent Ca and eight equivalent Zn atoms. All Zn–Zn bond lengths are 2.93 Å. In the second Zn site, Zn is bonded to four equivalent Ca and four equivalent Zn atoms to form a mixture of distorted edge, face, and corner-sharing ZnCa4Zn4 tetrahedra.

Publication Date:
Other Number(s):
mp-1094784
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; CaZn3; Ca-Zn
OSTI Identifier:
1677082
DOI:
https://doi.org/10.17188/1677082

Citation Formats

The Materials Project. Materials Data on CaZn3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677082.
The Materials Project. Materials Data on CaZn3 by Materials Project. United States. doi:https://doi.org/10.17188/1677082
The Materials Project. 2020. "Materials Data on CaZn3 by Materials Project". United States. doi:https://doi.org/10.17188/1677082. https://www.osti.gov/servlets/purl/1677082. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1677082,
title = {Materials Data on CaZn3 by Materials Project},
author = {The Materials Project},
abstractNote = {CaZn3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 10-coordinate geometry to fourteen Zn atoms. There are a spread of Ca–Zn bond distances ranging from 2.93–3.51 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 2-coordinate geometry to six equivalent Ca and eight equivalent Zn atoms. All Zn–Zn bond lengths are 2.93 Å. In the second Zn site, Zn is bonded to four equivalent Ca and four equivalent Zn atoms to form a mixture of distorted edge, face, and corner-sharing ZnCa4Zn4 tetrahedra.},
doi = {10.17188/1677082},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}