Materials Data on MgGe3 by Materials Project

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

DOI:https://doi.org/10.17188/1653951· OSTI ID:1653951

MgGe3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve Ge atoms to form MgGe12 cuboctahedra that share corners with four equivalent MgGe12 cuboctahedra, edges with eight equivalent MgGe12 cuboctahedra, edges with sixteen equivalent GeMg4Ge8 cuboctahedra, faces with four equivalent MgGe12 cuboctahedra, and faces with eight equivalent GeMg4Ge8 cuboctahedra. There are four shorter (2.96 Å) and eight longer (3.06 Å) Mg–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a square co-planar geometry to four equivalent Mg and eight equivalent Ge atoms. All Ge–Ge bond lengths are 3.06 Å. In the second Ge site, Ge is bonded to four equivalent Mg and eight Ge atoms to form distorted GeMg4Ge8 cuboctahedra that share corners with twelve equivalent GeMg4Ge8 cuboctahedra, edges with eight equivalent MgGe12 cuboctahedra, edges with eight equivalent GeMg4Ge8 cuboctahedra, faces with four equivalent MgGe12 cuboctahedra, and faces with ten equivalent GeMg4Ge8 cuboctahedra. All Ge–Ge bond lengths are 2.96 Å.

• 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: 1653951
• Report Number(s): mp-1185864
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Mg
MgGe3
crystal structure