Materials Data on EuCuSi3 by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1743150· OSTI ID:1743150

EuCuSi3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Eu3+ is bonded to twelve Si+1.33- atoms to form distorted EuSi12 cuboctahedra that share corners with eight equivalent EuSi12 cuboctahedra, corners with eight equivalent CuSi4 tetrahedra, edges with four equivalent EuSi12 cuboctahedra, edges with four equivalent CuSi4 tetrahedra, and faces with four equivalent EuSi12 cuboctahedra. There are four shorter (3.19 Å) and eight longer (3.27 Å) Eu–Si bond lengths. Cu1+ is bonded to four equivalent Si+1.33- atoms to form distorted CuSi4 tetrahedra that share corners with eight equivalent EuSi12 cuboctahedra, corners with four equivalent CuSi4 tetrahedra, and edges with four equivalent EuSi12 cuboctahedra. All Cu–Si bond lengths are 2.45 Å. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to four equivalent Eu3+, two equivalent Cu1+, and three Si+1.33- atoms. There are one shorter (2.38 Å) and two longer (2.45 Å) Si–Si bond lengths. In the second Si+1.33- site, Si+1.33- is bonded in a 8-coordinate geometry to four equivalent Eu3+ and four equivalent Si+1.33- atoms.

• 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: 1743150
• Report Number(s): mp-1225144
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cu-Eu-Si
EuCuSi3
crystal structure