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Title: Materials Data on Al2ZnS4 by Materials Project

Abstract

ZnAl2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with twelve equivalent AlS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Zn–S bond lengths are 2.35 Å. Al3+ is bonded to six equivalent S2- atoms to form AlS6 octahedra that share corners with six equivalent ZnS4 tetrahedra and edges with six equivalent AlS6 octahedra. All Al–S bond lengths are 2.43 Å. S2- is bonded to one Zn2+ and three equivalent Al3+ atoms to form a mixture of distorted corner and edge-sharing SAl3Zn trigonal pyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4842
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; Al2ZnS4; Al-S-Zn
OSTI Identifier:
1208437
DOI:
10.17188/1208437

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Al2ZnS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208437.
Persson, Kristin, & Project, Materials. Materials Data on Al2ZnS4 by Materials Project. United States. doi:10.17188/1208437.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Al2ZnS4 by Materials Project". United States. doi:10.17188/1208437. https://www.osti.gov/servlets/purl/1208437. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1208437,
title = {Materials Data on Al2ZnS4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ZnAl2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with twelve equivalent AlS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Zn–S bond lengths are 2.35 Å. Al3+ is bonded to six equivalent S2- atoms to form AlS6 octahedra that share corners with six equivalent ZnS4 tetrahedra and edges with six equivalent AlS6 octahedra. All Al–S bond lengths are 2.43 Å. S2- is bonded to one Zn2+ and three equivalent Al3+ atoms to form a mixture of distorted corner and edge-sharing SAl3Zn trigonal pyramids.},
doi = {10.17188/1208437},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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