MnFe4B2Si crystallizes in the tetragonal I4/mcm space group. Mn(1) is bonded in a distorted square co-planar geometry to eight equivalent Fe(1), four equivalent B(1), and two equivalent Si(1) atoms. Fe(1) is bonded in a 7-coordinate geometry to two equivalent Mn(1), three equivalent B(1), and two equivalent Si(1) atoms. B(1) is bonded in a 9-coordinate geometry to two equivalent Mn(1), six equivalent Fe(1), and one B(1) atom. Si(1) is bonded in a distorted q6 geometry to two equivalent Mn(1) and eight equivalent Fe(1) atoms.
MnFe4B2Si crystallizes in the tetragonal I4/mcm space group. Mn(1) is bonded in a distorted square co-planar geometry to eight equivalent Fe(1), four equivalent B(1), and two equivalent Si(1) atoms. All Mn(1)-Fe(1) bond lengths are 2.49 Å. All Mn(1)-B(1) bond lengths are 2.21 Å. Both Mn(1)-Si(1) bond lengths are 2.57 Å. Fe(1) is bonded in a 7-coordinate geometry to two equivalent Mn(1), three equivalent B(1), and two equivalent Si(1) atoms. There are two shorter (2.14 Å) and one longer (2.17 Å) Fe(1)-B(1) bond length. Both Fe(1)-Si(1) bond lengths are 2.37 Å. B(1) is bonded in a 9-coordinate geometry to two equivalent Mn(1), six equivalent Fe(1), and one B(1) atom. The B(1)-B(1) bond length is 1.86 Å. Si(1) is bonded in a distorted q6 geometry to two equivalent Mn(1) and eight equivalent Fe(1) atoms.