MnCoSi2 crystallizes in the monoclinic P2_1 space group. Mn(1) is bonded in a 7-coordinate geometry to four equivalent Co(1), three equivalent Si(2), and four equivalent Si(1) atoms. Co(1) is bonded in a 13-coordinate geometry to four equivalent Mn(1), two equivalent Co(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 Co(1) atoms. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to three equivalent Mn(1) and four equivalent Co(1) atoms.
MnCoSi2 crystallizes in the monoclinic P2_1 space group. Mn(1) is bonded in a 7-coordinate geometry to four equivalent Co(1), three equivalent Si(2), and four equivalent Si(1) atoms. There are a spread of Mn(1)-Co(1) bond distances ranging from 2.74-2.81 Å. There are a spread of Mn(1)-Si(2) bond distances ranging from 2.29-2.50 Å. There are a spread of Mn(1)-Si(1) bond distances ranging from 2.34-2.51 Å. Co(1) is bonded in a 13-coordinate geometry to four equivalent Mn(1), two equivalent Co(1), three equivalent Si(1), and four equivalent Si(2) atoms. Both Co(1)-Co(1) bond lengths are 2.72 Å. There are a spread of Co(1)-Si(1) bond distances ranging from 2.29-2.52 Å. There are a spread of Co(1)-Si(2) bond distances ranging from 2.31-2.52 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 Co(1) atoms. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to three equivalent Mn(1) and four equivalent Co(1) atoms.