V17Mn3Si12 crystallizes in the orthorhombic Amm2 space group. There are five inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one Si(2), two equivalent Si(1), and three equivalent Si(4) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one Si(3), two equivalent Si(1), and three equivalent Si(5) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to one Si(3), one Si(4), two equivalent Si(1), and two equivalent Si(2) atoms. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one Si(2), one Si(5), two equivalent Si(1), and two equivalent Si(3) atoms. In the fifth V site, V(5) is bonded in a distorted hexagonal planar geometry to two equivalent Mn(2), two equivalent Si(2), and two equivalent Si(4) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to two equivalent Si(3) and two equivalent Si(5) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to two equivalent V(5), two equivalent Si(2), and two equivalent Si(4) atoms. In the third Mn site, Mn(3) is bonded in a 4-coordinate geometry to two equivalent Si(3) and two equivalent Si(5) atoms. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to two equivalent V(1), two equivalent V(2), two equivalent V(3), two equivalent V(4), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one V(5), two equivalent V(1), two equivalent V(4), four equivalent V(3), and one Mn(2) atom. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to two equivalent V(2), two equivalent V(3), four equivalent V(4), one Mn(1), and one Mn(3) atom. In the fourth Si site, Si(4) is bonded in a 10-coordinate geometry to one V(5), two equivalent V(3), six equivalent V(1), and one Mn(2) atom. In the fifth Si site, Si(5) is bonded in a 10-coordinate geometry to two equivalent V(4), six equivalent V(2), one Mn(1), and one Mn(3) atom.
V17Mn3Si12 crystallizes in the orthorhombic Amm2 space group. There are five inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one Si(2), two equivalent Si(1), and three equivalent Si(4) atoms. The V(1)-Si(2) bond length is 2.47 Å. There is one shorter (2.52 Å) and one longer (2.53 Å) V(1)-Si(1) bond length. There are a spread of V(1)-Si(4) bond distances ranging from 2.49-2.72 Å. In the second V site, V(2) is bonded in a 6-coordinate geometry to one Si(3), two equivalent Si(1), and three equivalent Si(5) atoms. The V(2)-Si(3) bond length is 2.48 Å. Both V(2)-Si(1) bond lengths are 2.52 Å. There are a spread of V(2)-Si(5) bond distances ranging from 2.50-2.70 Å. In the third V site, V(3) is bonded in a 6-coordinate geometry to one Si(3), one Si(4), two equivalent Si(1), and two equivalent Si(2) atoms. The V(3)-Si(3) bond length is 2.50 Å. The V(3)-Si(4) bond length is 2.49 Å. Both V(3)-Si(1) bond lengths are 2.51 Å. There is one shorter (2.68 Å) and one longer (2.72 Å) V(3)-Si(2) bond length. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one Si(2), one Si(5), two equivalent Si(1), and two equivalent Si(3) atoms. The V(4)-Si(2) bond length is 2.47 Å. The V(4)-Si(5) bond length is 2.46 Å. There is one shorter (2.51 Å) and one longer (2.52 Å) V(4)-Si(1) bond length. There is one shorter (2.69 Å) and one longer (2.70 Å) V(4)-Si(3) bond length. In the fifth V site, V(5) is bonded in a distorted hexagonal planar geometry to two equivalent Mn(2), two equivalent Si(2), and two equivalent Si(4) atoms. Both V(5)-Mn(2) bond lengths are 2.36 Å. Both V(5)-Si(2) bond lengths are 2.48 Å. Both V(5)-Si(4) bond lengths are 2.46 Å. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to two equivalent Si(3) and two equivalent Si(5) atoms. Both Mn(1)-Si(3) bond lengths are 2.42 Å. Both Mn(1)-Si(5) bond lengths are 2.40 Å. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to two equivalent V(5), two equivalent Si(2), and two equivalent Si(4) atoms. Both Mn(2)-Si(2) bond lengths are 2.44 Å. Both Mn(2)-Si(4) bond lengths are 2.42 Å. In the third Mn site, Mn(3) is bonded in a 4-coordinate geometry to two equivalent Si(3) and two equivalent Si(5) atoms. Both Mn(3)-Si(3) bond lengths are 2.42 Å. Both Mn(3)-Si(5) bond lengths are 2.40 Å. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to two equivalent V(1), two equivalent V(2), two equivalent V(3), two equivalent V(4), and two equivalent Si(1) atoms. Both Si(1)-Si(1) bond lengths are 2.36 Å. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one V(5), two equivalent V(1), two equivalent V(4), four equivalent V(3), and one Mn(2) atom. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to two equivalent V(2), two equivalent V(3), four equivalent V(4), one Mn(1), and one Mn(3) atom. In the fourth Si site, Si(4) is bonded in a 10-coordinate geometry to one V(5), two equivalent V(3), six equivalent V(1), and one Mn(2) atom. In the fifth Si site, Si(5) is bonded in a 10-coordinate geometry to two equivalent V(4), six equivalent V(2), one Mn(1), and one Mn(3) atom.