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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mg2Sc by Materials Project

Mg2Sc is Magnesium-derived structured and 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 to seven Mg and five equivalent Sc atoms to form MgMg7Sc5 cuboctahedra that share corners with six equivalent ScMg9Sc3 cuboctahedra, corners with twelve MgMg8Sc4 cuboctahedra, edges with five equivalent ScMg9Sc3 cuboctahedra, edges with thirteen MgMg7Sc5 cuboctahedra, faces with eight equivalent ScMg9Sc3 cuboctahedra, and faces with twelve MgMg8Sc4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.14–3.21 Å. There are a spread of Mg–Sc bond distances ranging from 3.22–3.29 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Sc atoms to form MgMg8Sc4 cuboctahedra that share corners with six equivalent ScMg9Sc3 cuboctahedra, corners with twelve MgMg7Sc5 cuboctahedra, edges with nine MgMg7Sc5 cuboctahedra, edges with nine equivalent ScMg9Sc3 cuboctahedra, faces with six equivalent ScMg9Sc3 cuboctahedra, and faces with fourteen MgMg7Sc5 cuboctahedra. There are four shorter (3.21 Å) and one longer (3.32 Å) Mg–Mg bond lengths. There are two shorter (3.20 Å) and two longer (3.21 Å) Mg–Sc bond lengths. Sc is bonded to nine Mg and three equivalent Sc atoms to form ScMg9Sc3 cuboctahedra that share corners with six equivalent ScMg9Sc3 cuboctahedra, corners with twelve MgMg7Sc5 cuboctahedra, edges with four equivalent ScMg9Sc3 cuboctahedra, edges with fourteen MgMg7Sc5 cuboctahedra, faces with six equivalent ScMg9Sc3 cuboctahedra, and faces with fourteen MgMg7Sc5 cuboctahedra. There are one shorter (3.14 Å) and two longer (3.21 Å) Sc–Sc bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Sc by Materials Project

Mg2Sc is Magnesium-derived structured and 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 to eight Mg and four equivalent Sc atoms to form MgMg8Sc4 cuboctahedra that share corners with six equivalent ScMg7Sc5 cuboctahedra, corners with twelve MgMg9Sc3 cuboctahedra, edges with nine MgMg8Sc4 cuboctahedra, edges with nine equivalent ScMg7Sc5 cuboctahedra, faces with six equivalent ScMg7Sc5 cuboctahedra, and faces with fourteen MgMg8Sc4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.18–3.24 Å. There are two shorter (3.21 Å) and two longer (3.22 Å) Mg–Sc bond lengths. In the second Mg site, Mg is bonded to nine Mg and three equivalent Sc atoms to form MgMg9Sc3 cuboctahedra that share corners with six equivalent ScMg7Sc5 cuboctahedra, corners with twelve MgMg8Sc4 cuboctahedra, edges with seven equivalent ScMg7Sc5 cuboctahedra, edges with eleven MgMg9Sc3 cuboctahedra, faces with seven equivalent ScMg7Sc5 cuboctahedra, and faces with thirteen MgMg8Sc4 cuboctahedra. There are two shorter (3.22 Å) and two longer (3.24 Å) Mg–Mg bond lengths. There are one shorter (3.19 Å) and two longer (3.22 Å) Mg–Sc bond lengths. Sc is bonded to seven Mg and five equivalent Sc atoms to form ScMg7Sc5 cuboctahedra that share corners with six equivalent ScMg7Sc5 cuboctahedra, corners with twelve MgMg8Sc4 cuboctahedra, edges with two equivalent ScMg7Sc5 cuboctahedra, edges with sixteen MgMg8Sc4 cuboctahedra, faces with seven equivalent ScMg7Sc5 cuboctahedra, and faces with thirteen MgMg8Sc4 cuboctahedra. There are three shorter (3.23 Å) and two longer (3.24 Å) Sc–Sc bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Sc by Materials Project

Mg2Sc is Magnesium-derived structured and 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 Sc atoms to form MgMg6Sc6 cuboctahedra that share corners with six equivalent ScMg8Sc4 cuboctahedra, corners with twelve MgMg10Sc2 cuboctahedra, edges with seven equivalent ScMg8Sc4 cuboctahedra, edges with eleven MgMg6Sc6 cuboctahedra, faces with six equivalent ScMg8Sc4 cuboctahedra, and faces with fourteen MgMg6Sc6 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.19–3.26 Å. There are four shorter (3.19 Å) and two longer (3.21 Å) Mg–Sc bond lengths. In the second Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with six equivalent ScMg8Sc4 cuboctahedra, corners with twelve MgMg6Sc6 cuboctahedra, edges with seven MgMg10Sc2 cuboctahedra, edges with eleven equivalent ScMg8Sc4 cuboctahedra, faces with four equivalent ScMg8Sc4 cuboctahedra, and faces with sixteen MgMg10Sc2 cuboctahedra. There are four shorter (3.19 Å) and two longer (3.26 Å) Mg–Mg bond lengths. Both Mg–Sc bond lengths are 3.21 Å. Sc is bonded to eight Mg and four equivalent Sc atoms to form ScMg8Sc4 cuboctahedra that share corners with six equivalent ScMg8Sc4 cuboctahedra, corners with twelve MgMg6Sc6 cuboctahedra, edges with eighteen MgMg6Sc6 cuboctahedra, faces with ten MgMg6Sc6 cuboctahedra, and faces with ten equivalent ScMg8Sc4 cuboctahedra. There are two shorter (3.19 Å) and two longer (3.26 Å) Sc–Sc bond lengths.

36 MATERIALS SCIENCE↗