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Title: Materials Data on Pr3(AgSn)4 by Materials Project

Abstract

Pr3Ag4Sn4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to four Ag and four Sn atoms. There are two shorter (3.29 Å) and two longer (3.30 Å) Pr–Ag bond lengths. There are two shorter (3.28 Å) and two longer (3.42 Å) Pr–Sn bond lengths. In the second Pr site, Pr is bonded to eight Ag and four Sn atoms to form distorted face-sharing PrAg8Sn4 cuboctahedra. There are four shorter (3.43 Å) and four longer (3.44 Å) Pr–Ag bond lengths. There are two shorter (3.06 Å) and two longer (3.32 Å) Pr–Sn bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 8-coordinate geometry to four Pr and four Sn atoms. There are two shorter (2.93 Å) and two longer (3.07 Å) Ag–Sn bond lengths. In the second Ag site, Ag is bonded in a 8-coordinate geometry to four Pr and four Sn atoms. There are two shorter (2.92 Å) and two longer (3.06 Å) Ag–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bondedmore » in a 7-coordinate geometry to three Pr and four Ag atoms. In the second Sn site, Sn is bonded in a 1-coordinate geometry to three Pr, four Ag, and one Sn atom. The Sn–Sn bond length is 2.81 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-567241
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; Pr3(AgSn)4; Ag-Pr-Sn
OSTI Identifier:
1273767
DOI:
https://doi.org/10.17188/1273767

Citation Formats

The Materials Project. Materials Data on Pr3(AgSn)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273767.
The Materials Project. Materials Data on Pr3(AgSn)4 by Materials Project. United States. doi:https://doi.org/10.17188/1273767
The Materials Project. 2020. "Materials Data on Pr3(AgSn)4 by Materials Project". United States. doi:https://doi.org/10.17188/1273767. https://www.osti.gov/servlets/purl/1273767. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1273767,
title = {Materials Data on Pr3(AgSn)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr3Ag4Sn4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to four Ag and four Sn atoms. There are two shorter (3.29 Å) and two longer (3.30 Å) Pr–Ag bond lengths. There are two shorter (3.28 Å) and two longer (3.42 Å) Pr–Sn bond lengths. In the second Pr site, Pr is bonded to eight Ag and four Sn atoms to form distorted face-sharing PrAg8Sn4 cuboctahedra. There are four shorter (3.43 Å) and four longer (3.44 Å) Pr–Ag bond lengths. There are two shorter (3.06 Å) and two longer (3.32 Å) Pr–Sn bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 8-coordinate geometry to four Pr and four Sn atoms. There are two shorter (2.93 Å) and two longer (3.07 Å) Ag–Sn bond lengths. In the second Ag site, Ag is bonded in a 8-coordinate geometry to four Pr and four Sn atoms. There are two shorter (2.92 Å) and two longer (3.06 Å) Ag–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to three Pr and four Ag atoms. In the second Sn site, Sn is bonded in a 1-coordinate geometry to three Pr, four Ag, and one Sn atom. The Sn–Sn bond length is 2.81 Å.},
doi = {10.17188/1273767},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}