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Title: Materials Data on CaZnSi by Materials Project

Abstract

CaZnSi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent Si4- atoms to form a mixture of corner, edge, and face-sharing CaSi6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Ca–Si bond lengths are 3.20 Å. Zn2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Zn–Si bond lengths are 2.45 Å. Si4- is bonded in a 3-coordinate geometry to six equivalent Ca2+ and three equivalent Zn2+ atoms.

Publication Date:
Other Number(s):
mp-16266
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; CaZnSi; Ca-Si-Zn
OSTI Identifier:
1191708
DOI:
10.17188/1191708

Citation Formats

The Materials Project. Materials Data on CaZnSi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191708.
The Materials Project. Materials Data on CaZnSi by Materials Project. United States. doi:10.17188/1191708.
The Materials Project. 2020. "Materials Data on CaZnSi by Materials Project". United States. doi:10.17188/1191708. https://www.osti.gov/servlets/purl/1191708. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1191708,
title = {Materials Data on CaZnSi by Materials Project},
author = {The Materials Project},
abstractNote = {CaZnSi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent Si4- atoms to form a mixture of corner, edge, and face-sharing CaSi6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Ca–Si bond lengths are 3.20 Å. Zn2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Zn–Si bond lengths are 2.45 Å. Si4- is bonded in a 3-coordinate geometry to six equivalent Ca2+ and three equivalent Zn2+ atoms.},
doi = {10.17188/1191708},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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