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Title: Materials Data on Pu3Zn22 by Materials Project

Abstract

Pu3Zn22 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are three inequivalent Pu sites. In the first Pu site, Pu is bonded in a 8-coordinate geometry to twenty Zn atoms. There are a spread of Pu–Zn bond distances ranging from 3.11–3.46 Å. In the second Pu site, Pu is bonded in a 12-coordinate geometry to sixteen Zn atoms. There are a spread of Pu–Zn bond distances ranging from 3.07–3.43 Å. In the third Pu site, Pu is bonded in a 12-coordinate geometry to sixteen Zn atoms. There are a spread of Pu–Zn bond distances ranging from 3.07–3.43 Å. There are ten inequivalent Zn sites. In the first Zn site, Zn is bonded to two Pu and ten Zn atoms to form distorted ZnPu2Zn10 cuboctahedra that share corners with nineteen ZnPu2Zn10 cuboctahedra, edges with two equivalent ZnPu3Zn9 cuboctahedra, and faces with twenty ZnPu2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.61–2.97 Å. In the second Zn site, Zn is bonded to two Pu and ten Zn atoms to form distorted ZnPu2Zn10 cuboctahedra that share corners with nineteen ZnPu2Zn10 cuboctahedra, edges with two equivalent ZnPu3Zn9 cuboctahedra, and faces with twenty ZnPu2Zn10 cuboctahedra. There aremore » a spread of Zn–Zn bond distances ranging from 2.62–2.97 Å. In the third Zn site, Zn is bonded to two Pu and ten Zn atoms to form a mixture of distorted edge, face, and corner-sharing ZnPu2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.64–2.83 Å. In the fourth Zn site, Zn is bonded in a 11-coordinate geometry to two Pu and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–2.76 Å. In the fifth Zn site, Zn is bonded to two equivalent Pu and ten Zn atoms to form distorted ZnPu2Zn10 cuboctahedra that share corners with eighteen ZnPu2Zn10 cuboctahedra, edges with eight ZnPu3Zn9 cuboctahedra, and faces with eighteen ZnPu2Zn10 cuboctahedra. There are four shorter (2.65 Å) and two longer (2.67 Å) Zn–Zn bond lengths. In the sixth Zn site, Zn is bonded to two Pu and ten Zn atoms to form a mixture of distorted edge, face, and corner-sharing ZnPu2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.65–2.83 Å. In the seventh Zn site, Zn is bonded to two equivalent Pu and ten Zn atoms to form a mixture of distorted edge, face, and corner-sharing ZnPu2Zn10 cuboctahedra. All Zn–Zn bond lengths are 2.64 Å. In the eighth Zn site, Zn is bonded to three Pu and nine Zn atoms to form a mixture of distorted edge, face, and corner-sharing ZnPu3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.56–2.74 Å. In the ninth Zn site, Zn is bonded to three Pu and nine Zn atoms to form a mixture of distorted edge, face, and corner-sharing ZnPu3Zn9 cuboctahedra. There are one shorter (2.61 Å) and one longer (2.76 Å) Zn–Zn bond lengths. In the tenth Zn site, Zn is bonded in a 11-coordinate geometry to two Pu and nine Zn atoms.« less

Publication Date:
Other Number(s):
mp-567814
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; Pu3Zn22; Pu-Zn
OSTI Identifier:
1274061
DOI:
10.17188/1274061

Citation Formats

The Materials Project. Materials Data on Pu3Zn22 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274061.
The Materials Project. Materials Data on Pu3Zn22 by Materials Project. United States. doi:10.17188/1274061.
The Materials Project. 2020. "Materials Data on Pu3Zn22 by Materials Project". United States. doi:10.17188/1274061. https://www.osti.gov/servlets/purl/1274061. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1274061,
title = {Materials Data on Pu3Zn22 by Materials Project},
author = {The Materials Project},
abstractNote = {Pu3Zn22 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are three inequivalent Pu sites. In the first Pu site, Pu is bonded in a 8-coordinate geometry to twenty Zn atoms. There are a spread of Pu–Zn bond distances ranging from 3.11–3.46 Å. In the second Pu site, Pu is bonded in a 12-coordinate geometry to sixteen Zn atoms. There are a spread of Pu–Zn bond distances ranging from 3.07–3.43 Å. In the third Pu site, Pu is bonded in a 12-coordinate geometry to sixteen Zn atoms. There are a spread of Pu–Zn bond distances ranging from 3.07–3.43 Å. There are ten inequivalent Zn sites. In the first Zn site, Zn is bonded to two Pu and ten Zn atoms to form distorted ZnPu2Zn10 cuboctahedra that share corners with nineteen ZnPu2Zn10 cuboctahedra, edges with two equivalent ZnPu3Zn9 cuboctahedra, and faces with twenty ZnPu2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.61–2.97 Å. In the second Zn site, Zn is bonded to two Pu and ten Zn atoms to form distorted ZnPu2Zn10 cuboctahedra that share corners with nineteen ZnPu2Zn10 cuboctahedra, edges with two equivalent ZnPu3Zn9 cuboctahedra, and faces with twenty ZnPu2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.62–2.97 Å. In the third Zn site, Zn is bonded to two Pu and ten Zn atoms to form a mixture of distorted edge, face, and corner-sharing ZnPu2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.64–2.83 Å. In the fourth Zn site, Zn is bonded in a 11-coordinate geometry to two Pu and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–2.76 Å. In the fifth Zn site, Zn is bonded to two equivalent Pu and ten Zn atoms to form distorted ZnPu2Zn10 cuboctahedra that share corners with eighteen ZnPu2Zn10 cuboctahedra, edges with eight ZnPu3Zn9 cuboctahedra, and faces with eighteen ZnPu2Zn10 cuboctahedra. There are four shorter (2.65 Å) and two longer (2.67 Å) Zn–Zn bond lengths. In the sixth Zn site, Zn is bonded to two Pu and ten Zn atoms to form a mixture of distorted edge, face, and corner-sharing ZnPu2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.65–2.83 Å. In the seventh Zn site, Zn is bonded to two equivalent Pu and ten Zn atoms to form a mixture of distorted edge, face, and corner-sharing ZnPu2Zn10 cuboctahedra. All Zn–Zn bond lengths are 2.64 Å. In the eighth Zn site, Zn is bonded to three Pu and nine Zn atoms to form a mixture of distorted edge, face, and corner-sharing ZnPu3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.56–2.74 Å. In the ninth Zn site, Zn is bonded to three Pu and nine Zn atoms to form a mixture of distorted edge, face, and corner-sharing ZnPu3Zn9 cuboctahedra. There are one shorter (2.61 Å) and one longer (2.76 Å) Zn–Zn bond lengths. In the tenth Zn site, Zn is bonded in a 11-coordinate geometry to two Pu and nine Zn atoms.},
doi = {10.17188/1274061},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}

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