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Title: Materials Data on Pr2Zn17 by Materials Project

Abstract

Pr2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to nineteen Zn atoms. There are a spread of Pr–Zn bond distances ranging from 3.16–3.49 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Pr and nine Zn atoms to form distorted ZnPr3Zn9 cuboctahedra that share corners with twenty-three ZnPr2Zn10 cuboctahedra, edges with ten ZnPr2Zn10 cuboctahedra, and faces with twenty ZnPr3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.59–2.89 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Pr and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–2.96 Å. In the third Zn site, Zn is bonded to two equivalent Pr and ten Zn atoms to form ZnPr2Zn10 cuboctahedra that share corners with twenty-two ZnPr2Zn10 cuboctahedra, edges with ten ZnPr2Zn10 cuboctahedra, and faces with eighteen ZnPr3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.61 Å. In the fourth Zn site, Zn is bonded to two equivalent Pr and ten Zn atoms to form distorted ZnPr2Zn10 cuboctahedra that share corners with twenty-four ZnPr2Zn10 cuboctahedra, edges with five ZnPr2Zn10more » cuboctahedra, and faces with twenty-one ZnPr3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.66 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-30710
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; Pr2Zn17; Pr-Zn
OSTI Identifier:
1205070
DOI:
https://doi.org/10.17188/1205070

Citation Formats

The Materials Project. Materials Data on Pr2Zn17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205070.
The Materials Project. Materials Data on Pr2Zn17 by Materials Project. United States. doi:https://doi.org/10.17188/1205070
The Materials Project. 2020. "Materials Data on Pr2Zn17 by Materials Project". United States. doi:https://doi.org/10.17188/1205070. https://www.osti.gov/servlets/purl/1205070. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1205070,
title = {Materials Data on Pr2Zn17 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to nineteen Zn atoms. There are a spread of Pr–Zn bond distances ranging from 3.16–3.49 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Pr and nine Zn atoms to form distorted ZnPr3Zn9 cuboctahedra that share corners with twenty-three ZnPr2Zn10 cuboctahedra, edges with ten ZnPr2Zn10 cuboctahedra, and faces with twenty ZnPr3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.59–2.89 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Pr and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–2.96 Å. In the third Zn site, Zn is bonded to two equivalent Pr and ten Zn atoms to form ZnPr2Zn10 cuboctahedra that share corners with twenty-two ZnPr2Zn10 cuboctahedra, edges with ten ZnPr2Zn10 cuboctahedra, and faces with eighteen ZnPr3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.61 Å. In the fourth Zn site, Zn is bonded to two equivalent Pr and ten Zn atoms to form distorted ZnPr2Zn10 cuboctahedra that share corners with twenty-four ZnPr2Zn10 cuboctahedra, edges with five ZnPr2Zn10 cuboctahedra, and faces with twenty-one ZnPr3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.66 Å.},
doi = {10.17188/1205070},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}