TiVMn2As4 is Caswellsilverite-derived structured and crystallizes in the monoclinic P2/m space group. Ti(1) is bonded to two equivalent As(2) and four equivalent As(1) atoms to form TiAs6 octahedra that share corners with four equivalent Mn(2)As6 octahedra, corners with eight equivalent V(1)As6 octahedra, edges with two equivalent Ti(1)As6 octahedra, edges with four equivalent Mn(1)As6 octahedra, and faces with two equivalent Mn(2)As6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. V(1) is bonded to two equivalent As(1) and four equivalent As(2) atoms to form VAs6 octahedra that share corners with four equivalent Mn(1)As6 octahedra, corners with eight equivalent Ti(1)As6 octahedra, edges with two equivalent V(1)As6 octahedra, edges with four equivalent Mn(2)As6 octahedra, and faces with two equivalent Mn(1)As6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent As(1) and four equivalent As(2) atoms to form MnAs6 octahedra that share corners with four equivalent V(1)As6 octahedra, corners with eight equivalent Mn(2)As6 octahedra, edges with two equivalent Mn(1)As6 octahedra, edges with four equivalent Ti(1)As6 octahedra, and faces with two equivalent V(1)As6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. In the second Mn site, Mn(2) is bonded to two equivalent As(2) and four equivalent As(1) atoms to form MnAs6 octahedra that share corners with four equivalent Ti(1)As6 octahedra, corners with eight equivalent Mn(1)As6 octahedra, edges with two equivalent Mn(2)As6 octahedra, edges with four equivalent V(1)As6 octahedra, and faces with two equivalent Ti(1)As6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. There are two inequivalent As sites. In the first As site, As(1) is bonded to two equivalent Ti(1), one V(1), one Mn(1), and two equivalent Mn(2) atoms to form a mixture of distorted edge and corner-sharing AsTi2Mn3V pentagonal pyramids. In the second As site, As(2) is bonded in a 6-coordinate geometry to one Ti(1), two equivalent V(1), one Mn(2), and two equivalent Mn(1) atoms.
TiVMn2As4 is Caswellsilverite-derived structured and crystallizes in the monoclinic P2/m space group. Ti(1) is bonded to two equivalent As(2) and four equivalent As(1) atoms to form TiAs6 octahedra that share corners with four equivalent Mn(2)As6 octahedra, corners with eight equivalent V(1)As6 octahedra, edges with two equivalent Ti(1)As6 octahedra, edges with four equivalent Mn(1)As6 octahedra, and faces with two equivalent Mn(2)As6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. Both Ti(1)-As(2) bond lengths are 2.59 Å. All Ti(1)-As(1) bond lengths are 2.59 Å. V(1) is bonded to two equivalent As(1) and four equivalent As(2) atoms to form VAs6 octahedra that share corners with four equivalent Mn(1)As6 octahedra, corners with eight equivalent Ti(1)As6 octahedra, edges with two equivalent V(1)As6 octahedra, edges with four equivalent Mn(2)As6 octahedra, and faces with two equivalent Mn(1)As6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. Both V(1)-As(1) bond lengths are 2.51 Å. All V(1)-As(2) bond lengths are 2.55 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent As(1) and four equivalent As(2) atoms to form MnAs6 octahedra that share corners with four equivalent V(1)As6 octahedra, corners with eight equivalent Mn(2)As6 octahedra, edges with two equivalent Mn(1)As6 octahedra, edges with four equivalent Ti(1)As6 octahedra, and faces with two equivalent V(1)As6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. Both Mn(1)-As(1) bond lengths are 2.58 Å. All Mn(1)-As(2) bond lengths are 2.55 Å. In the second Mn site, Mn(2) is bonded to two equivalent As(2) and four equivalent As(1) atoms to form MnAs6 octahedra that share corners with four equivalent Ti(1)As6 octahedra, corners with eight equivalent Mn(1)As6 octahedra, edges with two equivalent Mn(2)As6 octahedra, edges with four equivalent V(1)As6 octahedra, and faces with two equivalent Ti(1)As6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. Both Mn(2)-As(2) bond lengths are 2.57 Å. All Mn(2)-As(1) bond lengths are 2.54 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded to two equivalent Ti(1), one V(1), one Mn(1), and two equivalent Mn(2) atoms to form a mixture of distorted edge and corner-sharing AsTi2Mn3V pentagonal pyramids. In the second As site, As(2) is bonded in a 6-coordinate geometry to one Ti(1), two equivalent V(1), one Mn(2), and two equivalent Mn(1) atoms.