Materials Data on BaMgSi by Materials Project

Abstract

BaMgSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded to five equivalent Si4- atoms to form distorted BaSi5 trigonal bipyramids that share corners with twelve equivalent MgSi4 tetrahedra, corners with four equivalent BaSi5 trigonal bipyramids, edges with four equivalent MgSi4 tetrahedra, and edges with eight equivalent BaSi5 trigonal bipyramids. There are four shorter (3.46 Å) and one longer (3.63 Å) Ba–Si bond lengths. Mg2+ is bonded to four equivalent Si4- atoms to form MgSi4 tetrahedra that share corners with four equivalent MgSi4 tetrahedra, corners with twelve equivalent BaSi5 trigonal bipyramids, edges with four equivalent MgSi4 tetrahedra, and edges with four equivalent BaSi5 trigonal bipyramids. All Mg–Si bond lengths are 2.83 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ba2+ and four equivalent Mg2+ atoms.