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Title: Materials Data on PrZn11 by Materials Project

Abstract

PrZn11 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eighteen Zn atoms. There are a spread of Pr–Zn bond distances ranging from 3.29–3.43 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 6-coordinate geometry to two equivalent Pr and twelve Zn atoms. There are four shorter (2.80 Å) and eight longer (2.89 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to two equivalent Pr and ten Zn atoms to form a mixture of distorted edge, face, and corner-sharing ZnPr2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.60–2.99 Å. In the third Zn site, Zn is bonded in a 12-coordinate geometry to ten Zn atoms.

Publication Date:
Other Number(s):
mp-568148
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; PrZn11; Pr-Zn
OSTI Identifier:
1274274
DOI:
10.17188/1274274

Citation Formats

The Materials Project. Materials Data on PrZn11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274274.
The Materials Project. Materials Data on PrZn11 by Materials Project. United States. doi:10.17188/1274274.
The Materials Project. 2020. "Materials Data on PrZn11 by Materials Project". United States. doi:10.17188/1274274. https://www.osti.gov/servlets/purl/1274274. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1274274,
title = {Materials Data on PrZn11 by Materials Project},
author = {The Materials Project},
abstractNote = {PrZn11 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eighteen Zn atoms. There are a spread of Pr–Zn bond distances ranging from 3.29–3.43 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 6-coordinate geometry to two equivalent Pr and twelve Zn atoms. There are four shorter (2.80 Å) and eight longer (2.89 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to two equivalent Pr and ten Zn atoms to form a mixture of distorted edge, face, and corner-sharing ZnPr2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.60–2.99 Å. In the third Zn site, Zn is bonded in a 12-coordinate geometry to ten Zn atoms.},
doi = {10.17188/1274274},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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