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Title: Materials Data on PrMgSn by Materials Project

Abstract

PrMgSn crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg, four equivalent Pr, and four equivalent Sn atoms to form distorted MgPr4Mg4Sn4 cuboctahedra that share corners with four equivalent MgPr4Mg4Sn4 cuboctahedra, corners with four equivalent PrMg4Sn5 square pyramids, edges with eight equivalent PrMg4Sn5 square pyramids, faces with eight equivalent MgPr4Mg4Sn4 cuboctahedra, and faces with four equivalent PrMg4Sn5 square pyramids. All Mg–Mg bond lengths are 3.22 Å. All Mg–Pr bond lengths are 3.50 Å. All Mg–Sn bond lengths are 3.13 Å. Pr is bonded to four equivalent Mg and five equivalent Sn atoms to form distorted PrMg4Sn5 square pyramids that share corners with four equivalent MgPr4Mg4Sn4 cuboctahedra, corners with eight equivalent PrMg4Sn5 square pyramids, edges with eight equivalent MgPr4Mg4Sn4 cuboctahedra, edges with four equivalent PrMg4Sn5 square pyramids, faces with four equivalent MgPr4Mg4Sn4 cuboctahedra, and faces with five equivalent PrMg4Sn5 square pyramids. There are four shorter (3.25 Å) and one longer (3.33 Å) Pr–Sn bond lengths. Sn is bonded in a 9-coordinate geometry to four equivalent Mg and five equivalent Pr atoms.

Publication Date:
Other Number(s):
mp-1071863
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; PrMgSn; Mg-Pr-Sn
OSTI Identifier:
1686017
DOI:
https://doi.org/10.17188/1686017

Citation Formats

The Materials Project. Materials Data on PrMgSn by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1686017.
The Materials Project. Materials Data on PrMgSn by Materials Project. United States. doi:https://doi.org/10.17188/1686017
The Materials Project. 2020. "Materials Data on PrMgSn by Materials Project". United States. doi:https://doi.org/10.17188/1686017. https://www.osti.gov/servlets/purl/1686017. Pub date:Sun Apr 26 00:00:00 EDT 2020
@article{osti_1686017,
title = {Materials Data on PrMgSn by Materials Project},
author = {The Materials Project},
abstractNote = {PrMgSn crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg, four equivalent Pr, and four equivalent Sn atoms to form distorted MgPr4Mg4Sn4 cuboctahedra that share corners with four equivalent MgPr4Mg4Sn4 cuboctahedra, corners with four equivalent PrMg4Sn5 square pyramids, edges with eight equivalent PrMg4Sn5 square pyramids, faces with eight equivalent MgPr4Mg4Sn4 cuboctahedra, and faces with four equivalent PrMg4Sn5 square pyramids. All Mg–Mg bond lengths are 3.22 Å. All Mg–Pr bond lengths are 3.50 Å. All Mg–Sn bond lengths are 3.13 Å. Pr is bonded to four equivalent Mg and five equivalent Sn atoms to form distorted PrMg4Sn5 square pyramids that share corners with four equivalent MgPr4Mg4Sn4 cuboctahedra, corners with eight equivalent PrMg4Sn5 square pyramids, edges with eight equivalent MgPr4Mg4Sn4 cuboctahedra, edges with four equivalent PrMg4Sn5 square pyramids, faces with four equivalent MgPr4Mg4Sn4 cuboctahedra, and faces with five equivalent PrMg4Sn5 square pyramids. There are four shorter (3.25 Å) and one longer (3.33 Å) Pr–Sn bond lengths. Sn is bonded in a 9-coordinate geometry to four equivalent Mg and five equivalent Pr atoms.},
doi = {10.17188/1686017},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}