U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pr2(CuSn)3 by Materials Project
Abstract
Pr2(CuSn)3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr is bonded to four equivalent Pr, one Cu, and one Sn atom to form distorted PrPr4CuSn octahedra that share a cornercorner with one CuCu4Sn2 octahedra, a cornercorner with one SnCu2Sn4 octahedra, corners with four equivalent PrPr4CuSn octahedra, edges with four equivalent PrPr4CuSn octahedra, edges with four equivalent CuPrCu4Sn octahedra, and edges with four equivalent SnPrCuSn4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–Pr bond lengths are 3.02 Å. The Pr–Cu bond length is 2.88 Å. The Pr–Sn bond length is 3.32 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to one Pr, four equivalent Cu, and one Sn atom to form distorted CuPrCu4Sn octahedra that share a cornercorner with one SnPrCuSn4 octahedra, corners with five equivalent CuPrCu4Sn octahedra, edges with four equivalent PrPr4CuSn octahedra, edges with four equivalent CuPrCu4Sn octahedra, and edges with four equivalent SnCu2Sn4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cu bond lengths are 3.02 Å. The Cu–Sn bond length is 2.66 Å. In the second Cu site, Cu is bonded to four equivalent Cu and two equivalent Sn atoms to form distortedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1207053
- 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; Pr2(CuSn)3; Cu-Pr-Sn
- OSTI Identifier:
- 1720816
- DOI:
- https://doi.org/10.17188/1720816
Citation Formats
The Materials Project. Materials Data on Pr2(CuSn)3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1720816.
The Materials Project. Materials Data on Pr2(CuSn)3 by Materials Project. United States. doi:https://doi.org/10.17188/1720816
The Materials Project. 2019.
"Materials Data on Pr2(CuSn)3 by Materials Project". United States. doi:https://doi.org/10.17188/1720816. https://www.osti.gov/servlets/purl/1720816. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1720816,
title = {Materials Data on Pr2(CuSn)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2(CuSn)3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr is bonded to four equivalent Pr, one Cu, and one Sn atom to form distorted PrPr4CuSn octahedra that share a cornercorner with one CuCu4Sn2 octahedra, a cornercorner with one SnCu2Sn4 octahedra, corners with four equivalent PrPr4CuSn octahedra, edges with four equivalent PrPr4CuSn octahedra, edges with four equivalent CuPrCu4Sn octahedra, and edges with four equivalent SnPrCuSn4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–Pr bond lengths are 3.02 Å. The Pr–Cu bond length is 2.88 Å. The Pr–Sn bond length is 3.32 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to one Pr, four equivalent Cu, and one Sn atom to form distorted CuPrCu4Sn octahedra that share a cornercorner with one SnPrCuSn4 octahedra, corners with five equivalent CuPrCu4Sn octahedra, edges with four equivalent PrPr4CuSn octahedra, edges with four equivalent CuPrCu4Sn octahedra, and edges with four equivalent SnCu2Sn4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cu bond lengths are 3.02 Å. The Cu–Sn bond length is 2.66 Å. In the second Cu site, Cu is bonded to four equivalent Cu and two equivalent Sn atoms to form distorted CuCu4Sn2 octahedra that share corners with two equivalent PrPr4CuSn octahedra, corners with four equivalent CuCu4Sn2 octahedra, edges with four equivalent CuCu4Sn2 octahedra, and edges with eight equivalent SnPrCuSn4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cu bond lengths are 3.02 Å. Both Cu–Sn bond lengths are 2.56 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to one Pr, one Cu, and four equivalent Sn atoms to form distorted SnPrCuSn4 octahedra that share a cornercorner with one CuPrCu4Sn octahedra, corners with five equivalent SnPrCuSn4 octahedra, edges with four equivalent PrPr4CuSn octahedra, edges with four equivalent CuCu4Sn2 octahedra, and edges with four equivalent SnPrCuSn4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–Sn bond lengths are 3.02 Å. In the second Sn site, Sn is bonded to two equivalent Cu and four equivalent Sn atoms to form SnCu2Sn4 octahedra that share corners with two equivalent PrPr4CuSn octahedra, corners with four equivalent SnCu2Sn4 octahedra, edges with four equivalent SnCu2Sn4 octahedra, and edges with eight equivalent CuPrCu4Sn octahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–Sn bond lengths are 3.02 Å.},
doi = {10.17188/1720816},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 00:00:00 EST 2019},
month = {Sat Jan 12 00:00:00 EST 2019}
}