U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y2(CuSn)3 by Materials Project
Abstract
Y2(CuSn)3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Y is bonded in a distorted linear geometry to one Cu and one Sn atom. The Y–Cu bond length is 2.81 Å. The Y–Sn bond length is 3.17 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to one Y, four equivalent Cu, and one Sn atom to form distorted CuYCu4Sn octahedra that share a cornercorner with one SnYCuSn4 octahedra, corners with five equivalent CuYCu4Sn octahedra, edges with four equivalent CuYCu4Sn octahedra, and edges with four equivalent SnCu2Sn4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cu bond lengths are 3.05 Å. The Cu–Sn bond length is 2.61 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 four equivalent CuCu4Sn2 octahedra, edges with four equivalent CuCu4Sn2 octahedra, and edges with eight equivalent SnYCuSn4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cu bond lengths are 3.05 Å. Both Cu–Sn bond lengths are 2.53 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to one Y, onemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1206766
- 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; Y2(CuSn)3; Cu-Sn-Y
- OSTI Identifier:
- 1698442
- DOI:
- https://doi.org/10.17188/1698442
Citation Formats
The Materials Project. Materials Data on Y2(CuSn)3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1698442.
The Materials Project. Materials Data on Y2(CuSn)3 by Materials Project. United States. doi:https://doi.org/10.17188/1698442
The Materials Project. 2019.
"Materials Data on Y2(CuSn)3 by Materials Project". United States. doi:https://doi.org/10.17188/1698442. https://www.osti.gov/servlets/purl/1698442. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1698442,
title = {Materials Data on Y2(CuSn)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Y2(CuSn)3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Y is bonded in a distorted linear geometry to one Cu and one Sn atom. The Y–Cu bond length is 2.81 Å. The Y–Sn bond length is 3.17 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to one Y, four equivalent Cu, and one Sn atom to form distorted CuYCu4Sn octahedra that share a cornercorner with one SnYCuSn4 octahedra, corners with five equivalent CuYCu4Sn octahedra, edges with four equivalent CuYCu4Sn octahedra, and edges with four equivalent SnCu2Sn4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cu bond lengths are 3.05 Å. The Cu–Sn bond length is 2.61 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 four equivalent CuCu4Sn2 octahedra, edges with four equivalent CuCu4Sn2 octahedra, and edges with eight equivalent SnYCuSn4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cu bond lengths are 3.05 Å. Both Cu–Sn bond lengths are 2.53 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to one Y, one Cu, and four equivalent Sn atoms to form distorted SnYCuSn4 octahedra that share a cornercorner with one CuYCu4Sn octahedra, corners with five equivalent SnYCuSn4 octahedra, edges with four equivalent CuCu4Sn2 octahedra, and edges with four equivalent SnYCuSn4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–Sn bond lengths are 3.05 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 four equivalent SnCu2Sn4 octahedra, edges with four equivalent SnCu2Sn4 octahedra, and edges with eight equivalent CuYCu4Sn octahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–Sn bond lengths are 3.05 Å.},
doi = {10.17188/1698442},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}