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Title: Materials Data on ZnIn3 by Materials Project

Abstract

ZnIn3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zn is bonded to twelve In atoms to form ZnIn12 cuboctahedra that share corners with four equivalent ZnIn12 cuboctahedra, corners with eight equivalent InZn4In8 cuboctahedra, edges with eight equivalent ZnIn12 cuboctahedra, edges with sixteen equivalent InZn4In8 cuboctahedra, faces with four equivalent ZnIn12 cuboctahedra, and faces with fourteen InZn4In8 cuboctahedra. There are four shorter (3.20 Å) and eight longer (3.31 Å) Zn–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Zn and eight In atoms to form InZn4In8 cuboctahedra that share corners with twelve equivalent InZn4In8 cuboctahedra, edges with eight equivalent ZnIn12 cuboctahedra, edges with sixteen InZn4In8 cuboctahedra, faces with four equivalent ZnIn12 cuboctahedra, and faces with fourteen InZn4In8 cuboctahedra. There are four shorter (3.20 Å) and four longer (3.31 Å) In–In bond lengths. In the second In site, In is bonded to four equivalent Zn and eight equivalent In atoms to form InZn4In8 cuboctahedra that share corners with four equivalent InZn4In8 cuboctahedra, corners with eight equivalent ZnIn12 cuboctahedra, edges with twenty-four InZn4In8 cuboctahedra, faces with six equivalent ZnIn12 cuboctahedra, and faces withmore » twelve InZn4In8 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-971832
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; ZnIn3; In-Zn
OSTI Identifier:
1313644
DOI:
https://doi.org/10.17188/1313644

Citation Formats

The Materials Project. Materials Data on ZnIn3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313644.
The Materials Project. Materials Data on ZnIn3 by Materials Project. United States. doi:https://doi.org/10.17188/1313644
The Materials Project. 2020. "Materials Data on ZnIn3 by Materials Project". United States. doi:https://doi.org/10.17188/1313644. https://www.osti.gov/servlets/purl/1313644. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1313644,
title = {Materials Data on ZnIn3 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnIn3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zn is bonded to twelve In atoms to form ZnIn12 cuboctahedra that share corners with four equivalent ZnIn12 cuboctahedra, corners with eight equivalent InZn4In8 cuboctahedra, edges with eight equivalent ZnIn12 cuboctahedra, edges with sixteen equivalent InZn4In8 cuboctahedra, faces with four equivalent ZnIn12 cuboctahedra, and faces with fourteen InZn4In8 cuboctahedra. There are four shorter (3.20 Å) and eight longer (3.31 Å) Zn–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Zn and eight In atoms to form InZn4In8 cuboctahedra that share corners with twelve equivalent InZn4In8 cuboctahedra, edges with eight equivalent ZnIn12 cuboctahedra, edges with sixteen InZn4In8 cuboctahedra, faces with four equivalent ZnIn12 cuboctahedra, and faces with fourteen InZn4In8 cuboctahedra. There are four shorter (3.20 Å) and four longer (3.31 Å) In–In bond lengths. In the second In site, In is bonded to four equivalent Zn and eight equivalent In atoms to form InZn4In8 cuboctahedra that share corners with four equivalent InZn4In8 cuboctahedra, corners with eight equivalent ZnIn12 cuboctahedra, edges with twenty-four InZn4In8 cuboctahedra, faces with six equivalent ZnIn12 cuboctahedra, and faces with twelve InZn4In8 cuboctahedra.},
doi = {10.17188/1313644},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}