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Title: Materials Data on Zr(MnSn)6 by Materials Project

Abstract

ZrMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Zr is bonded to eight Sn atoms to form distorted edge-sharing ZrSn8 hexagonal bipyramids. There are two shorter (2.94 Å) and six longer (3.12 Å) Zr–Sn bond lengths. Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.72–2.80 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Zr and six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the third Sn site, Sn is bonded in a 7-coordinate geometry to one Zr and six equivalent Mn atoms.

Publication Date:
Other Number(s):
mp-768613
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; Zr(MnSn)6; Mn-Sn-Zr
OSTI Identifier:
1298470
DOI:
10.17188/1298470

Citation Formats

The Materials Project. Materials Data on Zr(MnSn)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298470.
The Materials Project. Materials Data on Zr(MnSn)6 by Materials Project. United States. doi:10.17188/1298470.
The Materials Project. 2020. "Materials Data on Zr(MnSn)6 by Materials Project". United States. doi:10.17188/1298470. https://www.osti.gov/servlets/purl/1298470. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1298470,
title = {Materials Data on Zr(MnSn)6 by Materials Project},
author = {The Materials Project},
abstractNote = {ZrMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Zr is bonded to eight Sn atoms to form distorted edge-sharing ZrSn8 hexagonal bipyramids. There are two shorter (2.94 Å) and six longer (3.12 Å) Zr–Sn bond lengths. Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.72–2.80 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Zr and six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the third Sn site, Sn is bonded in a 7-coordinate geometry to one Zr and six equivalent Mn atoms.},
doi = {10.17188/1298470},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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