Mn5SiC crystallizes in the orthorhombic Cmcm space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted water-like geometry to two equivalent Si(1) and two equivalent C(1) atoms. In the second Mn site, Mn(2) is bonded in a 2-coordinate geometry to one Mn(5), two equivalent Si(1), and two equivalent C(1) atoms. In the third Mn site, Mn(3) is bonded in a distorted single-bond geometry to one Mn(5), three equivalent Si(1), and one C(1) atom. In the fourth Mn site, Mn(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Si(1) and two equivalent C(1) atoms. In the fifth Mn site, Mn(5) is bonded in a 10-coordinate geometry to two equivalent Mn(2), four equivalent Mn(3), two equivalent Si(1), and two equivalent C(1) atoms. Si(1) is bonded to one Mn(4), one Mn(5), two equivalent Mn(1), two equivalent Mn(2), and six equivalent Mn(3) atoms to form a mixture of distorted corner, edge, and face-sharing SiMn12 cuboctahedra. C(1) is bonded in a 7-coordinate geometry to one Mn(4), one Mn(5), two equivalent Mn(1), two equivalent Mn(2), and two equivalent Mn(3) atoms.
Mn5SiC crystallizes in the orthorhombic Cmcm space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted water-like geometry to two equivalent Si(1) and two equivalent C(1) atoms. Both Mn(1)-Si(1) bond lengths are 2.36 Å. Both Mn(1)-C(1) bond lengths are 1.99 Å. In the second Mn site, Mn(2) is bonded in a 2-coordinate geometry to one Mn(5), two equivalent Si(1), and two equivalent C(1) atoms. The Mn(2)-Mn(5) bond length is 2.53 Å. There is one shorter (2.27 Å) and one longer (2.47 Å) Mn(2)-Si(1) bond length. Both Mn(2)-C(1) bond lengths are 2.00 Å. In the third Mn site, Mn(3) is bonded in a distorted single-bond geometry to one Mn(5), three equivalent Si(1), and one C(1) atom. The Mn(3)-Mn(5) bond length is 2.53 Å. There are a spread of Mn(3)-Si(1) bond distances ranging from 2.55-2.70 Å. The Mn(3)-C(1) bond length is 2.00 Å. In the fourth Mn site, Mn(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Si(1) and two equivalent C(1) atoms. Both Mn(4)-Si(1) bond lengths are 2.59 Å. Both Mn(4)-C(1) bond lengths are 2.18 Å. In the fifth Mn site, Mn(5) is bonded in a 10-coordinate geometry to two equivalent Mn(2), four equivalent Mn(3), two equivalent Si(1), and two equivalent C(1) atoms. Both Mn(5)-Si(1) bond lengths are 2.48 Å. Both Mn(5)-C(1) bond lengths are 2.69 Å. Si(1) is bonded to one Mn(4), one Mn(5), two equivalent Mn(1), two equivalent Mn(2), and six equivalent Mn(3) atoms to form a mixture of distorted corner, edge, and face-sharing SiMn12 cuboctahedra. C(1) is bonded in a 7-coordinate geometry to one Mn(4), one Mn(5), two equivalent Mn(1), two equivalent Mn(2), and two equivalent Mn(3) atoms.