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

Title: Materials Data on ZnSn3 by Materials Project

Abstract

ZnSn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zn is bonded to twelve equivalent Sn atoms to form ZnSn12 cuboctahedra that share corners with six equivalent ZnSn12 cuboctahedra, corners with twelve equivalent SnZn4Sn8 cuboctahedra, edges with eighteen equivalent SnZn4Sn8 cuboctahedra, faces with eight equivalent ZnSn12 cuboctahedra, and faces with twelve equivalent SnZn4Sn8 cuboctahedra. There are six shorter (3.29 Å) and six longer (3.31 Å) Zn–Sn bond lengths. Sn is bonded to four equivalent Zn and eight equivalent Sn atoms to form distorted SnZn4Sn8 cuboctahedra that share corners with four equivalent ZnSn12 cuboctahedra, corners with fourteen equivalent SnZn4Sn8 cuboctahedra, edges with six equivalent ZnSn12 cuboctahedra, edges with twelve equivalent SnZn4Sn8 cuboctahedra, faces with four equivalent ZnSn12 cuboctahedra, and faces with sixteen equivalent SnZn4Sn8 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.24–3.34 Å.

Authors:
Publication Date:
Other Number(s):
mp-971919
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; ZnSn3; Sn-Zn
OSTI Identifier:
1313668
DOI:
https://doi.org/10.17188/1313668

Citation Formats

The Materials Project. Materials Data on ZnSn3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313668.
The Materials Project. Materials Data on ZnSn3 by Materials Project. United States. doi:https://doi.org/10.17188/1313668
The Materials Project. 2020. "Materials Data on ZnSn3 by Materials Project". United States. doi:https://doi.org/10.17188/1313668. https://www.osti.gov/servlets/purl/1313668. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1313668,
title = {Materials Data on ZnSn3 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnSn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zn is bonded to twelve equivalent Sn atoms to form ZnSn12 cuboctahedra that share corners with six equivalent ZnSn12 cuboctahedra, corners with twelve equivalent SnZn4Sn8 cuboctahedra, edges with eighteen equivalent SnZn4Sn8 cuboctahedra, faces with eight equivalent ZnSn12 cuboctahedra, and faces with twelve equivalent SnZn4Sn8 cuboctahedra. There are six shorter (3.29 Å) and six longer (3.31 Å) Zn–Sn bond lengths. Sn is bonded to four equivalent Zn and eight equivalent Sn atoms to form distorted SnZn4Sn8 cuboctahedra that share corners with four equivalent ZnSn12 cuboctahedra, corners with fourteen equivalent SnZn4Sn8 cuboctahedra, edges with six equivalent ZnSn12 cuboctahedra, edges with twelve equivalent SnZn4Sn8 cuboctahedra, faces with four equivalent ZnSn12 cuboctahedra, and faces with sixteen equivalent SnZn4Sn8 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.24–3.34 Å.},
doi = {10.17188/1313668},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}