Mn5SiC crystallizes in the orthorhombic Cmc2_1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted single-bond geometry to one Mn(2), three equivalent Si(1), and one C(1) atom. In the second Mn site, Mn(2) is bonded in a 10-coordinate geometry to two equivalent Mn(1), two equivalent Mn(5), two equivalent Mn(6), two equivalent Si(1), one C(1), and one C(2) atom. In the third Mn site, Mn(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Si(1), one C(1), and one C(2) atom. In the fourth Mn site, Mn(4) is bonded in a distorted water-like geometry to two equivalent Si(1), one C(1), and one C(2) atom. In the fifth Mn site, Mn(5) is bonded in a 2-coordinate geometry to one Mn(2), two equivalent Si(1), one C(1), and one C(2) atom. In the sixth Mn site, Mn(6) is bonded in a distorted single-bond geometry to one Mn(2), three equivalent Si(1), and one C(2) atom. Si(1) is bonded to one Mn(2), one Mn(3), two equivalent Mn(4), two equivalent Mn(5), three equivalent Mn(1), and three equivalent Mn(6) atoms to form a mixture of face, corner, and edge-sharing SiMn12 cuboctahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 8-coordinate geometry to one Mn(2), one Mn(3), two equivalent Mn(1), two equivalent Mn(4), and two equivalent Mn(5) atoms. In the second C site, C(2) is bonded in a 7-coordinate geometry to one Mn(2), one Mn(3), two equivalent Mn(4), two equivalent Mn(5), and two equivalent Mn(6) atoms.
Mn5SiC crystallizes in the orthorhombic Cmc2_1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted single-bond geometry to one Mn(2), three equivalent Si(1), and one C(1) atom. The Mn(1)-Mn(2) bond length is 2.65 Å. There are a spread of Mn(1)-Si(1) bond distances ranging from 2.54-2.65 Å. The Mn(1)-C(1) bond length is 2.00 Å. In the second Mn site, Mn(2) is bonded in a 10-coordinate geometry to two equivalent Mn(1), two equivalent Mn(5), two equivalent Mn(6), two equivalent Si(1), one C(1), and one C(2) atom. Both Mn(2)-Mn(5) bond lengths are 2.50 Å. Both Mn(2)-Mn(6) bond lengths are 2.57 Å. Both Mn(2)-Si(1) bond lengths are 2.50 Å. The Mn(2)-C(1) bond length is 2.52 Å. The Mn(2)-C(2) bond length is 2.71 Å. In the third Mn site, Mn(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Si(1), one C(1), and one C(2) atom. Both Mn(3)-Si(1) bond lengths are 2.61 Å. The Mn(3)-C(1) bond length is 2.19 Å. The Mn(3)-C(2) bond length is 2.16 Å. In the fourth Mn site, Mn(4) is bonded in a distorted water-like geometry to two equivalent Si(1), one C(1), and one C(2) atom. Both Mn(4)-Si(1) bond lengths are 2.37 Å. The Mn(4)-C(1) bond length is 2.01 Å. The Mn(4)-C(2) bond length is 1.99 Å. In the fifth Mn site, Mn(5) is bonded in a 2-coordinate geometry to one Mn(2), two equivalent Si(1), one C(1), and one C(2) atom. There is one shorter (2.28 Å) and one longer (2.45 Å) Mn(5)-Si(1) bond length. The Mn(5)-C(1) bond length is 2.02 Å. The Mn(5)-C(2) bond length is 2.02 Å. In the sixth Mn site, Mn(6) is bonded in a distorted single-bond geometry to one Mn(2), three equivalent Si(1), and one C(2) atom. There is one shorter (2.57 Å) and two longer (2.63 Å) Mn(6)-Si(1) bond lengths. The Mn(6)-C(2) bond length is 2.00 Å. Si(1) is bonded to one Mn(2), one Mn(3), two equivalent Mn(4), two equivalent Mn(5), three equivalent Mn(1), and three equivalent Mn(6) atoms to form a mixture of face, corner, and edge-sharing SiMn12 cuboctahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 8-coordinate geometry to one Mn(2), one Mn(3), two equivalent Mn(1), two equivalent Mn(4), and two equivalent Mn(5) atoms. In the second C site, C(2) is bonded in a 7-coordinate geometry to one Mn(2), one Mn(3), two equivalent Mn(4), two equivalent Mn(5), and two equivalent Mn(6) atoms.