MnFeSi2 crystallizes in the monoclinic P2_1 space group. Mn(1) is bonded in a 7-coordinate geometry to four equivalent Fe(1), three equivalent Si(2), and four equivalent Si(1) atoms. Fe(1) is bonded in a 13-coordinate geometry to four equivalent Mn(1), two equivalent Fe(1), three equivalent Si(1), and four equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to four equivalent Mn(1) and three equivalent Fe(1) atoms. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to three equivalent Mn(1) and four equivalent Fe(1) atoms.
MnFeSi2 crystallizes in the monoclinic P2_1 space group. Mn(1) is bonded in a 7-coordinate geometry to four equivalent Fe(1), three equivalent Si(2), and four equivalent Si(1) atoms. There are a spread of Mn(1)-Fe(1) bond distances ranging from 2.72-2.78 Å. There are a spread of Mn(1)-Si(2) bond distances ranging from 2.30-2.49 Å. There are a spread of Mn(1)-Si(1) bond distances ranging from 2.33-2.51 Å. Fe(1) is bonded in a 13-coordinate geometry to four equivalent Mn(1), two equivalent Fe(1), three equivalent Si(1), and four equivalent Si(2) atoms. Both Fe(1)-Fe(1) bond lengths are 2.75 Å. There are a spread of Fe(1)-Si(1) bond distances ranging from 2.24-2.48 Å. There are a spread of Fe(1)-Si(2) bond distances ranging from 2.32-2.50 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to four equivalent Mn(1) and three equivalent Fe(1) atoms. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to three equivalent Mn(1) and four equivalent Fe(1) atoms.