Mn2SbTe is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one Sb(2), two equivalent Sb(1), one Te(2), and two equivalent Te(1) atoms to form a mixture of distorted corner and edge-sharing MnSb3Te3 pentagonal pyramids. In the second Mn site, Mn(2) is bonded to one Sb(1), two equivalent Sb(2), one Te(1), and two equivalent Te(2) atoms to form a mixture of distorted corner and edge-sharing MnSb3Te3 pentagonal pyramids. In the third Mn site, Mn(3) is bonded to one Sb(1), two equivalent Sb(2), one Te(1), and two equivalent Te(2) atoms to form a mixture of distorted corner and edge-sharing MnSb3Te3 pentagonal pyramids. In the fourth Mn site, Mn(4) is bonded to one Sb(2), two equivalent Sb(1), one Te(2), and two equivalent Te(1) atoms to form a mixture of distorted corner and edge-sharing MnSb3Te3 pentagonal pyramids. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one Mn(2), one Mn(3), two equivalent Mn(1), and two equivalent Mn(4) atoms to form SbMn6 octahedra that share corners with four equivalent Te(1)Mn6 octahedra, corners with eight equivalent Sb(2)Mn6 octahedra, edges with two equivalent Sb(1)Mn6 octahedra, edges with four equivalent Te(2)Mn6 octahedra, and faces with two equivalent Te(1)Mn6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. In the second Sb site, Sb(2) is bonded to one Mn(1), one Mn(4), two equivalent Mn(2), and two equivalent Mn(3) atoms to form SbMn6 octahedra that share corners with four equivalent Te(2)Mn6 octahedra, corners with eight equivalent Sb(1)Mn6 octahedra, edges with two equivalent Sb(2)Mn6 octahedra, edges with four equivalent Te(1)Mn6 octahedra, and faces with two equivalent Te(2)Mn6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Mn(2), one Mn(3), two equivalent Mn(1), and two equivalent Mn(4) atoms to form TeMn6 octahedra that share corners with four equivalent Sb(1)Mn6 octahedra, corners with eight equivalent Te(2)Mn6 octahedra, edges with two equivalent Te(1)Mn6 octahedra, edges with four equivalent Sb(2)Mn6 octahedra, and faces with two equivalent Sb(1)Mn6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. In the second Te site, Te(2) is bonded to one Mn(1), one Mn(4), two equivalent Mn(2), and two equivalent Mn(3) atoms to form TeMn6 octahedra that share corners with four equivalent Sb(2)Mn6 octahedra, corners with eight equivalent Te(1)Mn6 octahedra, edges with two equivalent Te(2)Mn6 octahedra, edges with four equivalent Sb(1)Mn6 octahedra, and faces with two equivalent Sb(2)Mn6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°.
Mn2SbTe is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one Sb(2), two equivalent Sb(1), one Te(2), and two equivalent Te(1) atoms to form a mixture of distorted corner and edge-sharing MnSb3Te3 pentagonal pyramids. The Mn(1)-Sb(2) bond length is 2.85 Å. Both Mn(1)-Sb(1) bond lengths are 2.84 Å. The Mn(1)-Te(2) bond length is 2.84 Å. There is one shorter (2.90 Å) and one longer (2.95 Å) Mn(1)-Te(1) bond length. In the second Mn site, Mn(2) is bonded to one Sb(1), two equivalent Sb(2), one Te(1), and two equivalent Te(2) atoms to form a mixture of distorted corner and edge-sharing MnSb3Te3 pentagonal pyramids. The Mn(2)-Sb(1) bond length is 2.87 Å. There is one shorter (2.83 Å) and one longer (2.84 Å) Mn(2)-Sb(2) bond length. The Mn(2)-Te(1) bond length is 2.85 Å. There is one shorter (2.89 Å) and one longer (2.91 Å) Mn(2)-Te(2) bond length. In the third Mn site, Mn(3) is bonded to one Sb(1), two equivalent Sb(2), one Te(1), and two equivalent Te(2) atoms to form a mixture of distorted corner and edge-sharing MnSb3Te3 pentagonal pyramids. The Mn(3)-Sb(1) bond length is 2.87 Å. There is one shorter (2.85 Å) and one longer (2.86 Å) Mn(3)-Sb(2) bond length. The Mn(3)-Te(1) bond length is 2.81 Å. Both Mn(3)-Te(2) bond lengths are 2.88 Å. In the fourth Mn site, Mn(4) is bonded to one Sb(2), two equivalent Sb(1), one Te(2), and two equivalent Te(1) atoms to form a mixture of distorted corner and edge-sharing MnSb3Te3 pentagonal pyramids. The Mn(4)-Sb(2) bond length is 2.91 Å. There is one shorter (2.84 Å) and one longer (2.85 Å) Mn(4)-Sb(1) bond length. The Mn(4)-Te(2) bond length is 2.81 Å. There is one shorter (2.85 Å) and one longer (2.88 Å) Mn(4)-Te(1) bond length. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one Mn(2), one Mn(3), two equivalent Mn(1), and two equivalent Mn(4) atoms to form SbMn6 octahedra that share corners with four equivalent Te(1)Mn6 octahedra, corners with eight equivalent Sb(2)Mn6 octahedra, edges with two equivalent Sb(1)Mn6 octahedra, edges with four equivalent Te(2)Mn6 octahedra, and faces with two equivalent Te(1)Mn6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. In the second Sb site, Sb(2) is bonded to one Mn(1), one Mn(4), two equivalent Mn(2), and two equivalent Mn(3) atoms to form SbMn6 octahedra that share corners with four equivalent Te(2)Mn6 octahedra, corners with eight equivalent Sb(1)Mn6 octahedra, edges with two equivalent Sb(2)Mn6 octahedra, edges with four equivalent Te(1)Mn6 octahedra, and faces with two equivalent Te(2)Mn6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Mn(2), one Mn(3), two equivalent Mn(1), and two equivalent Mn(4) atoms to form TeMn6 octahedra that share corners with four equivalent Sb(1)Mn6 octahedra, corners with eight equivalent Te(2)Mn6 octahedra, edges with two equivalent Te(1)Mn6 octahedra, edges with four equivalent Sb(2)Mn6 octahedra, and faces with two equivalent Sb(1)Mn6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. In the second Te site, Te(2) is bonded to one Mn(1), one Mn(4), two equivalent Mn(2), and two equivalent Mn(3) atoms to form TeMn6 octahedra that share corners with four equivalent Sb(2)Mn6 octahedra, corners with eight equivalent Te(1)Mn6 octahedra, edges with two equivalent Te(2)Mn6 octahedra, edges with four equivalent Sb(1)Mn6 octahedra, and faces with two equivalent Sb(2)Mn6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°.