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

Abstract

Pr3Ag4Sn4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to six Sn atoms to form distorted edge-sharing PrSn6 octahedra. There are four shorter (3.28 Å) and two longer (3.37 Å) Pr–Sn bond lengths. In the second Pr site, Pr is bonded in a 12-coordinate geometry to six equivalent Ag and six Sn atoms. There are four shorter (3.34 Å) and two longer (3.46 Å) Pr–Ag bond lengths. There are two shorter (3.40 Å) and four longer (3.43 Å) Pr–Sn bond lengths. Ag is bonded in a 12-coordinate geometry to three equivalent Pr, one Ag, and four Sn atoms. The Ag–Ag bond length is 2.89 Å. There are a spread of Ag–Sn bond distances ranging from 2.80–2.90 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three Pr and six equivalent Ag atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Pr, two equivalent Ag, and one Sn atom. The Sn–Sn bond length is 2.88 Å.

Publication Date:
Other Number(s):
mp-1101777
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; Pr3(AgSn)4; Ag-Pr-Sn
OSTI Identifier:
1679764
DOI:
https://doi.org/10.17188/1679764

Citation Formats

The Materials Project. Materials Data on Pr3(AgSn)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679764.
The Materials Project. Materials Data on Pr3(AgSn)4 by Materials Project. United States. doi:https://doi.org/10.17188/1679764
The Materials Project. 2020. "Materials Data on Pr3(AgSn)4 by Materials Project". United States. doi:https://doi.org/10.17188/1679764. https://www.osti.gov/servlets/purl/1679764. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1679764,
title = {Materials Data on Pr3(AgSn)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr3Ag4Sn4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to six Sn atoms to form distorted edge-sharing PrSn6 octahedra. There are four shorter (3.28 Å) and two longer (3.37 Å) Pr–Sn bond lengths. In the second Pr site, Pr is bonded in a 12-coordinate geometry to six equivalent Ag and six Sn atoms. There are four shorter (3.34 Å) and two longer (3.46 Å) Pr–Ag bond lengths. There are two shorter (3.40 Å) and four longer (3.43 Å) Pr–Sn bond lengths. Ag is bonded in a 12-coordinate geometry to three equivalent Pr, one Ag, and four Sn atoms. The Ag–Ag bond length is 2.89 Å. There are a spread of Ag–Sn bond distances ranging from 2.80–2.90 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three Pr and six equivalent Ag atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Pr, two equivalent Ag, and one Sn atom. The Sn–Sn bond length is 2.88 Å.},
doi = {10.17188/1679764},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}