Materials Data on ThU(MnSi)4 by Materials Project

Abstract

UTh(MnSi)4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All U–Si bond lengths are 3.05 Å. Th4+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Th–Si bond lengths are 3.08 Å. Mn2+ is bonded to four Si4- atoms to form a mixture of edge and corner-sharing MnSi4 tetrahedra. There are two shorter (2.36 Å) and two longer (2.39 Å) Mn–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Th4+, four equivalent Mn2+, and one Si4- atom. The Si–Si bond length is 2.57 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent U4+, four equivalent Mn2+, and one Si4- atom. The Si–Si bond length is 2.39 Å.