Mn3W3C crystallizes in the cubic Fd-3m space group. W(1) is bonded in a 8-coordinate geometry to two equivalent Mn(1), four equivalent Mn(2), and two equivalent C(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent W(1) and six equivalent Mn(2) atoms to form MnMn6W6 cuboctahedra that share edges with six equivalent C(1)W6 octahedra and faces with six equivalent Mn(1)Mn6W6 cuboctahedra. In the second Mn site, Mn(2) is bonded in a 12-coordinate geometry to six equivalent W(1), three equivalent Mn(1), and three equivalent Mn(2) atoms. C(1) is bonded to six equivalent W(1) atoms to form CW6 octahedra that share corners with six equivalent C(1)W6 octahedra and edges with six equivalent Mn(1)Mn6W6 cuboctahedra. The corner-sharing octahedral tilt angles are 40°.
Mn3W3C crystallizes in the cubic Fd-3m space group. W(1) is bonded in a 8-coordinate geometry to two equivalent Mn(1), four equivalent Mn(2), and two equivalent C(1) atoms. Both W(1)-Mn(1) bond lengths are 2.89 Å. There are two shorter (2.68 Å) and two longer (2.88 Å) W(1)-Mn(2) bond lengths. Both W(1)-C(1) bond lengths are 2.12 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent W(1) and six equivalent Mn(2) atoms to form MnMn6W6 cuboctahedra that share edges with six equivalent C(1)W6 octahedra and faces with six equivalent Mn(1)Mn6W6 cuboctahedra. All Mn(1)-Mn(2) bond lengths are 2.44 Å. In the second Mn site, Mn(2) is bonded in a 12-coordinate geometry to six equivalent W(1), three equivalent Mn(1), and three equivalent Mn(2) atoms. All Mn(2)-Mn(2) bond lengths are 2.64 Å. C(1) is bonded to six equivalent W(1) atoms to form CW6 octahedra that share corners with six equivalent C(1)W6 octahedra and edges with six equivalent Mn(1)Mn6W6 cuboctahedra. The corner-sharing octahedral tilt angles are 40°.