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Materials Data on MnSn2 by Materials Project

MnSn2 is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Mn is bonded in a 10-coordinate geometry to two equivalent Mn and eight equivalent Sn atoms. Both Mn–Mn bond lengths are 2.71 Å. All Mn–Sn bond lengths are 2.82 Å. Sn is bonded in a 4-coordinate geometry to four equivalent Mn atoms.

36 MATERIALS SCIENCE↗

Materials Data on Mn3Sn by Materials Project

Mn3Sn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to eight Mn and four equivalent Sn atoms to form distorted MnMn8Sn4 cuboctahedra that share corners with four equivalent SnMn12 cuboctahedra, corners with fourteen equivalent MnMn8Sn4 cuboctahedra, edges with six equivalent SnMn12 cuboctahedra, edges with twelve MnMn8Sn4 cuboctahedra, faces with four equivalent SnMn12 cuboctahedra, and faces with sixteen MnMn8Sn4 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.72–2.87 Å. All Mn–Sn bond lengths are 2.80 Å. In the second Mn site, Mn is bonded to eight equivalent Mn and four equivalent Sn atoms to form distorted MnMn8Sn4 cuboctahedra that share corners with four equivalent SnMn12 cuboctahedra, corners with fourteen MnMn8Sn4 cuboctahedra, edges with six equivalent SnMn12 cuboctahedra, edges with twelve equivalent MnMn8Sn4 cuboctahedra, faces with four equivalent SnMn12 cuboctahedra, and faces with sixteen MnMn8Sn4 cuboctahedra. All Mn–Sn bond lengths are 2.80 Å. Sn is bonded to twelve Mn atoms to form SnMn12 cuboctahedra that share corners with six equivalent SnMn12 cuboctahedra, corners with twelve MnMn8Sn4 cuboctahedra, edges with eighteen MnMn8Sn4 cuboctahedra, faces with eight equivalent SnMn12 cuboctahedra, and faces with twelve MnMn8Sn4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Mn2Sn by Materials Project

Mn2Sn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 8-coordinate geometry to eight Mn and six equivalent Sn atoms. There are two shorter (2.75 Å) and six longer (2.94 Å) Mn–Mn bond lengths. All Mn–Sn bond lengths are 2.94 Å. In the second Mn site, Mn is bonded to six equivalent Mn and five equivalent Sn atoms to form a mixture of corner and face-sharing MnMn6Sn5 trigonal bipyramids. There are three shorter (2.60 Å) and two longer (2.75 Å) Mn–Sn bond lengths. Sn is bonded in a 11-coordinate geometry to eleven Mn atoms.

36 MATERIALS SCIENCE↗

Materials Data on MnSn3 by Materials Project

MnSn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded to twelve equivalent Sn atoms to form MnSn12 cuboctahedra that share corners with six equivalent MnSn12 cuboctahedra, corners with twelve equivalent SnMn4Sn8 cuboctahedra, edges with eighteen equivalent SnMn4Sn8 cuboctahedra, faces with eight equivalent MnSn12 cuboctahedra, and faces with twelve equivalent SnMn4Sn8 cuboctahedra. There are six shorter (3.22 Å) and six longer (3.28 Å) Mn–Sn bond lengths. Sn is bonded to four equivalent Mn and eight equivalent Sn atoms to form distorted SnMn4Sn8 cuboctahedra that share corners with four equivalent MnSn12 cuboctahedra, corners with fourteen equivalent SnMn4Sn8 cuboctahedra, edges with six equivalent MnSn12 cuboctahedra, edges with twelve equivalent SnMn4Sn8 cuboctahedra, faces with four equivalent MnSn12 cuboctahedra, and faces with sixteen equivalent SnMn4Sn8 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.14–3.33 Å.

36 MATERIALS SCIENCE↗

Materials Data on MnSn by Materials Project

MnSn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Sn atoms. All Mn–Sn bond lengths are 2.88 Å. Sn is bonded in a body-centered cubic geometry to eight equivalent Mn atoms.

36 MATERIALS SCIENCE↗

Materials Data on Mn3Sn by Materials Project

Mn3Sn is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to four equivalent Mn and four equivalent Sn atoms to form a mixture of distorted edge, corner, and face-sharing MnMn4Sn4 tetrahedra. All Mn–Mn bond lengths are 2.65 Å. All Mn–Sn bond lengths are 2.65 Å. In the second Mn site, Mn is bonded in a 8-coordinate geometry to eight equivalent Mn and six equivalent Sn atoms. All Mn–Sn bond lengths are 3.06 Å. Sn is bonded in a distorted body-centered cubic geometry to fourteen Mn atoms.

36 MATERIALS SCIENCE↗

Materials Data on MnSn by Materials Project

MnSn is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn is bonded to four equivalent Sn atoms to form corner-sharing MnSn4 tetrahedra. All Mn–Sn bond lengths are 2.66 Å. Sn is bonded to four equivalent Mn atoms to form corner-sharing SnMn4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on MnSn by Materials Project

MnSn is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded to six equivalent Sn atoms to form a mixture of edge and corner-sharing MnSn6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–Sn bond lengths are 2.75 Å. Sn is bonded to six equivalent Mn atoms to form a mixture of edge and corner-sharing SnMn6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

Materials Data on MnSn3 by Materials Project

MnSn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mn is bonded to twelve Sn atoms to form MnSn12 cuboctahedra that share corners with four equivalent MnSn12 cuboctahedra, corners with eight equivalent SnMn4Sn8 cuboctahedra, edges with eight equivalent MnSn12 cuboctahedra, edges with sixteen equivalent SnMn4Sn8 cuboctahedra, faces with four equivalent MnSn12 cuboctahedra, and faces with fourteen SnMn4Sn8 cuboctahedra. There are four shorter (3.20 Å) and eight longer (3.30 Å) Mn–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Mn and eight Sn atoms to form distorted SnMn4Sn8 cuboctahedra that share corners with twelve equivalent SnMn4Sn8 cuboctahedra, edges with eight equivalent MnSn12 cuboctahedra, edges with sixteen SnMn4Sn8 cuboctahedra, faces with four equivalent MnSn12 cuboctahedra, and faces with fourteen SnMn4Sn8 cuboctahedra. There are four shorter (3.20 Å) and four longer (3.30 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded to four equivalent Mn and eight equivalent Sn atoms to form distorted SnMn4Sn8 cuboctahedra that share corners with four equivalent SnMn4Sn8 cuboctahedra, corners with eight equivalent MnSn12 cuboctahedra, edges with twenty-four SnMn4Sn8 cuboctahedra, faces with six equivalent MnSn12 cuboctahedra, and faces with twelve SnMn4Sn8 cuboctahedra.

36 MATERIALS SCIENCE↗