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Title: Materials Data on Zr5Sn3O by Materials Project

Abstract

Zr5Sn3O crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 7-coordinate geometry to five equivalent Sn and two equivalent O atoms. There are a spread of Zr–Sn bond distances ranging from 2.97–3.25 Å. Both Zr–O bond lengths are 2.43 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Zr–Sn bond lengths are 2.97 Å. Sn is bonded in a 9-coordinate geometry to nine Zr atoms. O is bonded to six equivalent Zr atoms to form face-sharing OZr6 octahedra.

Publication Date:
Other Number(s):
mp-779662
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; Zr5Sn3O; O-Sn-Zr
OSTI Identifier:
1306451
DOI:
10.17188/1306451

Citation Formats

The Materials Project. Materials Data on Zr5Sn3O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1306451.
The Materials Project. Materials Data on Zr5Sn3O by Materials Project. United States. doi:10.17188/1306451.
The Materials Project. 2020. "Materials Data on Zr5Sn3O by Materials Project". United States. doi:10.17188/1306451. https://www.osti.gov/servlets/purl/1306451. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1306451,
title = {Materials Data on Zr5Sn3O by Materials Project},
author = {The Materials Project},
abstractNote = {Zr5Sn3O crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 7-coordinate geometry to five equivalent Sn and two equivalent O atoms. There are a spread of Zr–Sn bond distances ranging from 2.97–3.25 Å. Both Zr–O bond lengths are 2.43 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Zr–Sn bond lengths are 2.97 Å. Sn is bonded in a 9-coordinate geometry to nine Zr atoms. O is bonded to six equivalent Zr atoms to form face-sharing OZr6 octahedra.},
doi = {10.17188/1306451},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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