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Title: Materials Data on Zn by Materials Project

Abstract

Zn is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Zn sites. In the first Zn site, Zn is bonded to twelve Zn atoms to form a mixture of corner, edge, and face-sharing ZnZn12 cuboctahedra. There are six shorter (2.65 Å) and six longer (2.91 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to twelve Zn atoms to form a mixture of corner, edge, and face-sharing ZnZn12 cuboctahedra. There are six shorter (2.65 Å) and three longer (2.90 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded to twelve Zn atoms to form a mixture of corner, edge, and face-sharing ZnZn12 cuboctahedra. There are six shorter (2.65 Å) and six longer (2.91 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded to twelve Zn atoms to form a mixture of corner, edge, and face-sharing ZnZn12 cuboctahedra. There are six shorter (2.65 Å) and three longer (2.90 Å) Zn–Zn bond lengths. In the fifth Zn site, Zn is bonded to sixteen Zn atoms to form ZnZn16 cuboctahedra that share corners with twenty-five ZnZn12 cuboctahedra, edges with twenty-one ZnZn16 cuboctahedra, andmore » faces with thirty-five ZnZn16 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.65–5.31 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1187812
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; Zn; Zn
OSTI Identifier:
1687451
DOI:
https://doi.org/10.17188/1687451

Citation Formats

The Materials Project. Materials Data on Zn by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687451.
The Materials Project. Materials Data on Zn by Materials Project. United States. doi:https://doi.org/10.17188/1687451
The Materials Project. 2020. "Materials Data on Zn by Materials Project". United States. doi:https://doi.org/10.17188/1687451. https://www.osti.gov/servlets/purl/1687451. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1687451,
title = {Materials Data on Zn by Materials Project},
author = {The Materials Project},
abstractNote = {Zn is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Zn sites. In the first Zn site, Zn is bonded to twelve Zn atoms to form a mixture of corner, edge, and face-sharing ZnZn12 cuboctahedra. There are six shorter (2.65 Å) and six longer (2.91 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to twelve Zn atoms to form a mixture of corner, edge, and face-sharing ZnZn12 cuboctahedra. There are six shorter (2.65 Å) and three longer (2.90 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded to twelve Zn atoms to form a mixture of corner, edge, and face-sharing ZnZn12 cuboctahedra. There are six shorter (2.65 Å) and six longer (2.91 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded to twelve Zn atoms to form a mixture of corner, edge, and face-sharing ZnZn12 cuboctahedra. There are six shorter (2.65 Å) and three longer (2.90 Å) Zn–Zn bond lengths. In the fifth Zn site, Zn is bonded to sixteen Zn atoms to form ZnZn16 cuboctahedra that share corners with twenty-five ZnZn12 cuboctahedra, edges with twenty-one ZnZn16 cuboctahedra, and faces with thirty-five ZnZn16 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.65–5.31 Å.},
doi = {10.17188/1687451},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}