Materials Data on CuSnPd2 by Materials Project

Dataset · Sat Jul 18 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1656367· OSTI ID:1656367

Pd2CuSn crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pd is bonded to four equivalent Pd, four equivalent Cu, and four equivalent Sn atoms to form distorted PdCu4Sn4Pd4 cuboctahedra that share corners with twelve equivalent PdCu4Sn4Pd4 cuboctahedra, edges with eight equivalent PdCu4Sn4Pd4 cuboctahedra, edges with eight equivalent CuSn4Pd8 cuboctahedra, edges with eight equivalent SnCu4Pd8 cuboctahedra, faces with four equivalent CuSn4Pd8 cuboctahedra, faces with four equivalent SnCu4Pd8 cuboctahedra, and faces with ten equivalent PdCu4Sn4Pd4 cuboctahedra. All Pd–Pd bond lengths are 2.83 Å. All Pd–Cu bond lengths are 2.80 Å. All Pd–Sn bond lengths are 2.80 Å. Cu is bonded to eight equivalent Pd and four equivalent Sn atoms to form CuSn4Pd8 cuboctahedra that share corners with twelve equivalent CuSn4Pd8 cuboctahedra, edges with eight equivalent SnCu4Pd8 cuboctahedra, edges with sixteen equivalent PdCu4Sn4Pd4 cuboctahedra, faces with four equivalent SnCu4Pd8 cuboctahedra, faces with six equivalent CuSn4Pd8 cuboctahedra, and faces with eight equivalent PdCu4Sn4Pd4 cuboctahedra. All Cu–Sn bond lengths are 2.83 Å. Sn is bonded to eight equivalent Pd and four equivalent Cu atoms to form SnCu4Pd8 cuboctahedra that share corners with twelve equivalent SnCu4Pd8 cuboctahedra, edges with eight equivalent CuSn4Pd8 cuboctahedra, edges with sixteen equivalent PdCu4Sn4Pd4 cuboctahedra, faces with four equivalent CuSn4Pd8 cuboctahedra, faces with six equivalent SnCu4Pd8 cuboctahedra, and faces with eight equivalent PdCu4Sn4Pd4 cuboctahedra.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1656367
• Report Number(s): mp-1207090
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cu-Pd-Sn
CuSnPd2
crystal structure