Materials Data on PrCu9Sn4 by Materials Project
Abstract
PrCu9Sn4 is alpha-derived structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to sixteen Cu and eight equivalent Sn atoms. There are eight shorter (3.56 Å) and eight longer (3.81 Å) Pr–Cu bond lengths. All Pr–Sn bond lengths are 3.54 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 1-coordinate geometry to two equivalent Pr, seven Cu, and four equivalent Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.42–3.18 Å. There are two shorter (2.83 Å) and two longer (2.86 Å) Cu–Sn bond lengths. In the second Cu site, Cu is bonded in a distorted cuboctahedral geometry to eight Cu and four equivalent Sn atoms. All Cu–Cu bond lengths are 2.50 Å. All Cu–Sn bond lengths are 2.62 Å. In the third Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Pr, eight Cu, and two equivalent Sn atoms. There are two shorter (2.52 Å) and one longer (2.72 Å) Cu–Cu bond lengths. Both Cu–Sn bond lengths are 2.70 Å. Sn is bonded in a 12-coordinate geometry to two equivalent Pr, seven Cu, andmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1210048
- 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; PrCu9Sn4; Cu-Pr-Sn
- OSTI Identifier:
- 1684066
- DOI:
- https://doi.org/10.17188/1684066
Citation Formats
The Materials Project. Materials Data on PrCu9Sn4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1684066.
The Materials Project. Materials Data on PrCu9Sn4 by Materials Project. United States. doi:https://doi.org/10.17188/1684066
The Materials Project. 2020.
"Materials Data on PrCu9Sn4 by Materials Project". United States. doi:https://doi.org/10.17188/1684066. https://www.osti.gov/servlets/purl/1684066. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1684066,
title = {Materials Data on PrCu9Sn4 by Materials Project},
author = {The Materials Project},
abstractNote = {PrCu9Sn4 is alpha-derived structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to sixteen Cu and eight equivalent Sn atoms. There are eight shorter (3.56 Å) and eight longer (3.81 Å) Pr–Cu bond lengths. All Pr–Sn bond lengths are 3.54 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 1-coordinate geometry to two equivalent Pr, seven Cu, and four equivalent Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.42–3.18 Å. There are two shorter (2.83 Å) and two longer (2.86 Å) Cu–Sn bond lengths. In the second Cu site, Cu is bonded in a distorted cuboctahedral geometry to eight Cu and four equivalent Sn atoms. All Cu–Cu bond lengths are 2.50 Å. All Cu–Sn bond lengths are 2.62 Å. In the third Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Pr, eight Cu, and two equivalent Sn atoms. There are two shorter (2.52 Å) and one longer (2.72 Å) Cu–Cu bond lengths. Both Cu–Sn bond lengths are 2.70 Å. Sn is bonded in a 12-coordinate geometry to two equivalent Pr, seven Cu, and three equivalent Sn atoms. There are two shorter (2.87 Å) and one longer (3.05 Å) Sn–Sn bond lengths.},
doi = {10.17188/1684066},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}