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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mg2Sn by Materials Project

Mg2Sn crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Mg2Sn sheet oriented in the (0, 0, 1) direction. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form a mixture of edge, face, and corner-sharing MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.21–3.26 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Sn atoms to form distorted MgMg9Sn3 cuboctahedra that share corners with twelve MgMg9Sn3 cuboctahedra, edges with twelve MgMg12 cuboctahedra, and faces with thirteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.26 Å. All Mg–Sn bond lengths are 3.21 Å. In the third Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with twelve MgMg9Sn3 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, and faces with nineteen MgMg12 cuboctahedra. There are three shorter (3.21 Å) and six longer (3.26 Å) Mg–Mg bond lengths. Sn is bonded in a 12-coordinate geometry to three equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Sn by Materials Project

Mg2Sn is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two Mg2Sn sheets oriented in the (0, 0, 1) direction. Mg is bonded to three equivalent Sn atoms to form a mixture of distorted face and corner-sharing MgSn3 cuboctahedra. All Mg–Sn bond lengths are 3.15 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Sn by Materials Project

Mg2Sn crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Mg2Sn sheets oriented in the (0, 1, 0) direction. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to four equivalent Sn atoms. All Mg–Sn bond lengths are 3.21 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Sn atoms. Both Mg–Sn bond lengths are 3.15 Å. Sn is bonded in a 6-coordinate geometry to six Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Sn by Materials Project

Mg2Sn crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Mg2Sn sheet oriented in the (0, 0, 1) direction. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Sn atoms. There are two shorter (3.17 Å) and one longer (3.29 Å) Mg–Sn bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four equivalent Sn atoms. There are two shorter (3.20 Å) and two longer (3.28 Å) Mg–Sn bond lengths. Sn is bonded in a 12-coordinate geometry to seven Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Sn by Materials Project

Mg2Sn is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded to four equivalent Sn atoms to form a mixture of corner and edge-sharing MgSn4 tetrahedra. All Mg–Sn bond lengths are 2.95 Å. Sn is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Sn by Materials Project

Mg2Sn is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six equivalent Sn atoms to form a mixture of corner, edge, and face-sharing MgMg6Sn6 cuboctahedra. All Mg–Mg bond lengths are 2.95 Å. All Mg–Sn bond lengths are 3.46 Å. Sn is bonded in a 12-coordinate geometry to twelve equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Sn by Materials Project

Mg2Sn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to eight Mg and six equivalent Sn atoms. There are two shorter (3.14 Å) and six longer (3.32 Å) Mg–Mg bond lengths. All Mg–Sn bond lengths are 3.32 Å. In the second Mg site, Mg is bonded to six equivalent Mg and five equivalent Sn atoms to form a mixture of corner and face-sharing MgMg6Sn5 trigonal bipyramids. There are three shorter (2.92 Å) and two longer (3.14 Å) Mg–Sn bond lengths. Sn is bonded in a 11-coordinate geometry to eleven Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Sn by Materials Project

Mg2Sn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to six equivalent Sn atoms. There are two shorter (3.19 Å) and four longer (3.22 Å) Mg–Sn bond lengths. In the second Mg site, Mg is bonded in a 4-coordinate geometry to four equivalent Sn atoms. All Mg–Sn bond lengths are 3.13 Å. Sn is bonded in a 10-coordinate geometry to ten Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Sn by Materials Project

Mg2Sn crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with twelve equivalent SnMg6 cuboctahedra, corners with eighteen MgMg12 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with two equivalent SnMg6 cuboctahedra, and faces with six equivalent MgMg12 cuboctahedra. There are six shorter (3.17 Å) and six longer (3.31 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to three equivalent Mg and three equivalent Sn atoms to form distorted MgMg3Sn3 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with twelve MgMg12 cuboctahedra, and faces with two MgMg3Sn3 cuboctahedra. All Mg–Sn bond lengths are 3.19 Å. In the third Mg site, Mg is bonded to six equivalent Sn atoms to form distorted MgSn6 cuboctahedra that share corners with twelve equivalent MgMg3Sn3 cuboctahedra, edges with six equivalent MgSn6 cuboctahedra, and faces with two equivalent MgMg3Sn3 cuboctahedra. All Mg–Sn bond lengths are 3.18 Å. Sn is bonded to six Mg atoms to form distorted SnMg6 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, corners with six equivalent SnMg6 cuboctahedra, edges with six equivalent SnMg6 cuboctahedra, a faceface with one MgMg12 cuboctahedra, and a faceface with one SnMg6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Sn by Materials Project

Mg2Sn crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to nine Mg and three equivalent Sn atoms. There are a spread of Mg–Mg bond distances ranging from 3.09–3.33 Å. There are two shorter (3.12 Å) and one longer (3.22 Å) Mg–Sn bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four equivalent Mg and five equivalent Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.14–3.19 Å. Sn is bonded in a 12-coordinate geometry to eight Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Sn by Materials Project

Mg2Sn crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Mg and five equivalent Sn atoms. All Mg–Mg bond lengths are 3.24 Å. There are a spread of Mg–Sn bond distances ranging from 3.10–3.25 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Sn atoms to form a mixture of distorted corner, edge, and face-sharing MgMg8Sn4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.13–3.31 Å. There are two shorter (3.19 Å) and two longer (3.23 Å) Mg–Sn bond lengths. Sn is bonded in a 9-coordinate geometry to nine Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Sn by Materials Project

Mg2Sn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six Mg and six equivalent Sn atoms to form distorted MgMg6Sn6 cuboctahedra that share corners with ten equivalent SnMg8 cuboctahedra, corners with twelve MgMg4Sn2 cuboctahedra, edges with five equivalent SnMg8 cuboctahedra, edges with fifteen MgMg6Sn6 cuboctahedra, and faces with six equivalent MgMg6Sn6 cuboctahedra. There are two shorter (3.15 Å) and four longer (3.27 Å) Mg–Mg bond lengths. There are two shorter (3.16 Å) and four longer (3.28 Å) Mg–Sn bond lengths. In the second Mg site, Mg is bonded to four equivalent Mg and two equivalent Sn atoms to form distorted MgMg4Sn2 cuboctahedra that share corners with eight MgMg6Sn6 cuboctahedra, corners with fourteen equivalent SnMg8 cuboctahedra, edges with five equivalent SnMg8 cuboctahedra, and edges with thirteen MgMg4Sn2 cuboctahedra. Both Mg–Sn bond lengths are 3.15 Å. Sn is bonded to eight Mg atoms to form distorted SnMg8 cuboctahedra that share corners with four equivalent SnMg8 cuboctahedra, corners with twenty-four MgMg6Sn6 cuboctahedra, edges with six equivalent SnMg8 cuboctahedra, edges with ten MgMg6Sn6 cuboctahedra, and faces with four equivalent SnMg8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Sn by Materials Project

Mg2Sn crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four equivalent Sn atoms to form distorted MgMg8Sn4 cuboctahedra that share corners with eighteen MgMg8Sn4 cuboctahedra, edges with eight equivalent SnMg9Sn3 cuboctahedra, edges with ten MgMg8Sn4 cuboctahedra, faces with eight equivalent SnMg9Sn3 cuboctahedra, and faces with twelve MgMg8Sn4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.20–3.25 Å. All Mg–Sn bond lengths are 3.20 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Sn atoms to form distorted MgMg8Sn4 cuboctahedra that share corners with eighteen MgMg8Sn4 cuboctahedra, edges with eight equivalent SnMg9Sn3 cuboctahedra, edges with ten MgMg8Sn4 cuboctahedra, faces with eight equivalent SnMg9Sn3 cuboctahedra, and faces with twelve MgMg8Sn4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.20–3.25 Å. All Mg–Sn bond lengths are 3.20 Å. In the third Mg site, Mg is bonded to six Mg and six equivalent Sn atoms to form distorted MgMg6Sn6 cuboctahedra that share corners with six equivalent MgMg6Sn6 cuboctahedra, corners with twelve equivalent SnMg9Sn3 cuboctahedra, edges with eighteen MgMg8Sn4 cuboctahedra, faces with eight equivalent SnMg9Sn3 cuboctahedra, and faces with twelve MgMg8Sn4 cuboctahedra. All Mg–Sn bond lengths are 3.24 Å. In the fourth Mg site, Mg is bonded to eight Mg and four equivalent Sn atoms to form distorted MgMg8Sn4 cuboctahedra that share corners with eighteen MgMg8Sn4 cuboctahedra, edges with eight equivalent SnMg9Sn3 cuboctahedra, edges with ten MgMg8Sn4 cuboctahedra, faces with eight equivalent SnMg9Sn3 cuboctahedra, and faces with twelve MgMg8Sn4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.20–3.25 Å. All Mg–Sn bond lengths are 3.20 Å. Sn is bonded to nine Mg and three equivalent Sn atoms to form distorted SnMg9Sn3 cuboctahedra that share corners with six equivalent MgMg6Sn6 cuboctahedra, corners with twelve equivalent SnMg9Sn3 cuboctahedra, edges with six equivalent SnMg9Sn3 cuboctahedra, edges with twelve MgMg8Sn4 cuboctahedra, faces with four equivalent SnMg9Sn3 cuboctahedra, and faces with sixteen MgMg8Sn4 cuboctahedra. All Sn–Sn bond lengths are 3.24 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Sn by Materials Project

Mg2Sn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to seven equivalent Mg and five equivalent Sn atoms. There are a spread of Mg–Mg bond distances ranging from 3.13–3.32 Å. There are a spread of Mg–Sn bond distances ranging from 3.13–3.30 Å. Sn is bonded in a 12-coordinate geometry to ten equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Sn by Materials Project

Mg2Sn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted bent 120 degrees geometry to four Mg and two equivalent Sn atoms. There are two shorter (3.16 Å) and two longer (3.17 Å) Mg–Mg bond lengths. Both Mg–Sn bond lengths are 3.17 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Sn atoms to form distorted MgMg8Sn4 cuboctahedra that share corners with twelve MgMg8Sn4 cuboctahedra, edges with three equivalent MgMg6Sn6 cuboctahedra, and faces with six MgMg8Sn4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.16–3.36 Å. All Mg–Sn bond lengths are 3.24 Å. In the third Mg site, Mg is bonded to six Mg and six Sn atoms to form a mixture of distorted corner, edge, and face-sharing MgMg6Sn6 cuboctahedra. Both Mg–Mg bond lengths are 3.36 Å. There are two shorter (3.24 Å) and four longer (3.27 Å) Mg–Sn bond lengths. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and four Sn atoms. There are two shorter (3.11 Å) and two longer (3.12 Å) Mg–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to eight Mg atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to eight Mg atoms.

36 MATERIALS SCIENCE↗