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Title: Materials Data on ZnSnAs2 by Materials Project

Abstract

ZnSnAs2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent As3- atoms to form ZnAs4 tetrahedra that share corners with four equivalent ZnAs4 tetrahedra and corners with eight equivalent SnAs4 tetrahedra. All Zn–As bond lengths are 2.50 Å. Sn4+ is bonded to four equivalent As3- atoms to form SnAs4 tetrahedra that share corners with four equivalent SnAs4 tetrahedra and corners with eight equivalent ZnAs4 tetrahedra. All Sn–As bond lengths are 2.66 Å. As3- is bonded to two equivalent Zn2+ and two equivalent Sn4+ atoms to form corner-sharing AsZn2Sn2 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-5190
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; ZnSnAs2; As-Sn-Zn
OSTI Identifier:
1263138
DOI:
10.17188/1263138

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ZnSnAs2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1263138.
Persson, Kristin, & Project, Materials. Materials Data on ZnSnAs2 by Materials Project. United States. doi:10.17188/1263138.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on ZnSnAs2 by Materials Project". United States. doi:10.17188/1263138. https://www.osti.gov/servlets/purl/1263138. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1263138,
title = {Materials Data on ZnSnAs2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ZnSnAs2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent As3- atoms to form ZnAs4 tetrahedra that share corners with four equivalent ZnAs4 tetrahedra and corners with eight equivalent SnAs4 tetrahedra. All Zn–As bond lengths are 2.50 Å. Sn4+ is bonded to four equivalent As3- atoms to form SnAs4 tetrahedra that share corners with four equivalent SnAs4 tetrahedra and corners with eight equivalent ZnAs4 tetrahedra. All Sn–As bond lengths are 2.66 Å. As3- is bonded to two equivalent Zn2+ and two equivalent Sn4+ atoms to form corner-sharing AsZn2Sn2 tetrahedra.},
doi = {10.17188/1263138},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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