Materials Data on MnSi(AgTe2)2 by Materials Project

Abstract

MnSi(AgTe2)2 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Mn2+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with four equivalent SiTe4 tetrahedra and corners with eight equivalent AgTe4 tetrahedra. There are a spread of Mn–Te bond distances ranging from 2.70–2.80 Å. Ag1+ is bonded to four Te2- atoms to form AgTe4 tetrahedra that share corners with four equivalent MnTe4 tetrahedra, corners with four equivalent AgTe4 tetrahedra, and corners with four equivalent SiTe4 tetrahedra. There are a spread of Ag–Te bond distances ranging from 2.79–2.84 Å. Si4+ is bonded to four Te2- atoms to form SiTe4 tetrahedra that share corners with four equivalent MnTe4 tetrahedra and corners with eight equivalent AgTe4 tetrahedra. There are one shorter (2.54 Å) and three longer (2.57 Å) Si–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to one Mn2+, two equivalent Ag1+, and one Si4+ atom to form corner-sharing TeMnSiAg2 tetrahedra. In the second Te2- site, Te2- is bonded to one Mn2+, two equivalent Ag1+, and one Si4+ atom to form corner-sharing TeMnSiAg2 tetrahedra. In the third Te2- site, Te2- is bonded to one Mn2+, two equivalent Ag1+, and one Si4+ atom to form corner-sharing TeMnSiAg2 tetrahedra.