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Materials Data on MgSc by Materials Project

MgSc is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. All Mg–Sc bond lengths are 3.11 Å. Sc is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.

36 MATERIALS SCIENCE↗

Materials Data on MgSc2 by Materials Project

MgSc2 is beta-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight Sc atoms to form MgMg4Sc8 cuboctahedra that share corners with six equivalent MgMg4Sc8 cuboctahedra, corners with twelve ScMg6Sc6 cuboctahedra, edges with eighteen ScMg6Sc6 cuboctahedra, faces with ten equivalent MgMg4Sc8 cuboctahedra, and faces with ten ScMg6Sc6 cuboctahedra. There are two shorter (3.24 Å) and two longer (3.33 Å) Mg–Mg bond lengths. There are a spread of Mg–Sc bond distances ranging from 3.16–3.22 Å. There are two inequivalent Sc sites. In the first Sc site, Sc is bonded to six equivalent Mg and six Sc atoms to form ScMg6Sc6 cuboctahedra that share corners with six equivalent MgMg4Sc8 cuboctahedra, corners with twelve ScMg6Sc6 cuboctahedra, edges with seven equivalent MgMg4Sc8 cuboctahedra, edges with eleven ScMg6Sc6 cuboctahedra, faces with six equivalent MgMg4Sc8 cuboctahedra, and faces with fourteen ScMg6Sc6 cuboctahedra. There are a spread of Sc–Sc bond distances ranging from 3.25–3.33 Å. In the second Sc site, Sc is bonded to two equivalent Mg and ten Sc atoms to form ScMg2Sc10 cuboctahedra that share corners with six equivalent MgMg4Sc8 cuboctahedra, corners with twelve ScMg6Sc6 cuboctahedra, edges with seven ScMg6Sc6 cuboctahedra, edges with eleven equivalent MgMg4Sc8 cuboctahedra, faces with four equivalent MgMg4Sc8 cuboctahedra, and faces with sixteen ScMg6Sc6 cuboctahedra. There are four shorter (3.18 Å) and two longer (3.33 Å) Sc–Sc bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on Mg5Sc by Materials Project

Mg5Sc is Magnesium-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with eighteen MgMg10Sc2 cuboctahedra, edges with six equivalent ScMg10Sc2 cuboctahedra, edges with twelve MgMg10Sc2 cuboctahedra, faces with three equivalent ScMg10Sc2 cuboctahedra, and faces with seventeen MgMg10Sc2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.18–3.24 Å. Both Mg–Sc bond lengths are 3.18 Å. 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 ScMg10Sc2 cuboctahedra, corners with twelve MgMg10Sc2 cuboctahedra, edges with three equivalent ScMg10Sc2 cuboctahedra, edges with fifteen MgMg10Sc2 cuboctahedra, faces with three equivalent ScMg10Sc2 cuboctahedra, and faces with seventeen MgMg10Sc2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.19–3.21 Å. Both Mg–Sc bond lengths are 3.19 Å. In the third Mg site, Mg is bonded to eleven Mg and one Sc atom to form MgMg11Sc cuboctahedra that share corners with eighteen MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg10Sc2 cuboctahedra, edges with fourteen MgMg10Sc2 cuboctahedra, faces with four equivalent ScMg10Sc2 cuboctahedra, and faces with sixteen MgMg10Sc2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.20–3.23 Å. The Mg–Sc bond length is 3.18 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with six equivalent ScMg10Sc2 cuboctahedra, corners with twelve MgMg10Sc2 cuboctahedra, edges with three equivalent ScMg10Sc2 cuboctahedra, edges with fifteen MgMg10Sc2 cuboctahedra, faces with three equivalent ScMg10Sc2 cuboctahedra, and faces with seventeen MgMg10Sc2 cuboctahedra. There are two shorter (3.19 Å) and two longer (3.20 Å) Mg–Mg bond lengths. Both Mg–Sc bond lengths are 3.24 Å. In the fifth Mg site, Mg is bonded to nine Mg and three equivalent Sc atoms to form MgMg9Sc3 cuboctahedra that share corners with eighteen MgMg10Sc2 cuboctahedra, edges with two equivalent ScMg10Sc2 cuboctahedra, edges with sixteen MgMg10Sc2 cuboctahedra, faces with five equivalent ScMg10Sc2 cuboctahedra, and faces with fifteen MgMg10Sc2 cuboctahedra. Both Mg–Mg bond lengths are 3.20 Å. There are two shorter (3.22 Å) and one longer (3.23 Å) Mg–Sc bond lengths. Sc is bonded to ten Mg and two equivalent Sc atoms to form ScMg10Sc2 cuboctahedra that share corners with six equivalent ScMg10Sc2 cuboctahedra, corners with twelve MgMg10Sc2 cuboctahedra, edges with eighteen MgMg10Sc2 cuboctahedra, faces with two equivalent ScMg10Sc2 cuboctahedra, and faces with eighteen MgMg10Sc2 cuboctahedra. Both Sc–Sc bond lengths are 3.20 Å.

36 MATERIALS SCIENCE↗

Materials Data on MgSc3 by Materials Project

MgSc3 is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six equivalent Sc atoms to form MgMg6Sc6 cuboctahedra that share corners with six equivalent MgMg6Sc6 cuboctahedra, corners with twelve equivalent ScSc12 cuboctahedra, edges with six equivalent MgMg6Sc6 cuboctahedra, edges with twelve equivalent ScMg3Sc9 cuboctahedra, faces with six equivalent MgMg6Sc6 cuboctahedra, and faces with fourteen ScMg3Sc9 cuboctahedra. All Mg–Mg bond lengths are 3.26 Å. All Mg–Sc bond lengths are 3.32 Å. There are two inequivalent Sc sites. In the first Sc site, Sc is bonded to three equivalent Mg and nine Sc atoms to form ScMg3Sc9 cuboctahedra that share corners with eighteen equivalent ScMg3Sc9 cuboctahedra, edges with six equivalent MgMg6Sc6 cuboctahedra, edges with twelve ScMg3Sc9 cuboctahedra, faces with six equivalent MgMg6Sc6 cuboctahedra, and faces with fourteen ScMg3Sc9 cuboctahedra. There are three shorter (3.19 Å) and six longer (3.26 Å) Sc–Sc bond lengths. In the second Sc site, Sc is bonded to twelve Sc atoms to form ScSc12 cuboctahedra that share corners with six equivalent ScSc12 cuboctahedra, corners with twelve equivalent MgMg6Sc6 cuboctahedra, edges with eighteen ScMg3Sc9 cuboctahedra, faces with two equivalent MgMg6Sc6 cuboctahedra, and faces with eighteen ScMg3Sc9 cuboctahedra. All Sc–Sc bond lengths are 3.26 Å.

36 MATERIALS SCIENCE↗

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↗

Materials Data on MgSc2 by Materials Project

MgSc2 is Magnesium-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded to five equivalent Mg and seven Sc atoms to form MgMg5Sc7 cuboctahedra that share corners with six equivalent MgMg5Sc7 cuboctahedra, corners with twelve ScMg4Sc8 cuboctahedra, edges with two equivalent MgMg5Sc7 cuboctahedra, edges with sixteen ScMg4Sc8 cuboctahedra, faces with seven equivalent MgMg5Sc7 cuboctahedra, and faces with thirteen ScMg4Sc8 cuboctahedra. There are two shorter (3.20 Å) and three longer (3.26 Å) Mg–Mg bond lengths. There are a spread of Mg–Sc bond distances ranging from 3.24–3.29 Å. There are two inequivalent Sc sites. In the first Sc site, Sc is bonded to four equivalent Mg and eight Sc atoms to form ScMg4Sc8 cuboctahedra that share corners with six equivalent MgMg5Sc7 cuboctahedra, corners with twelve ScMg4Sc8 cuboctahedra, edges with nine equivalent MgMg5Sc7 cuboctahedra, edges with nine ScMg4Sc8 cuboctahedra, faces with six equivalent MgMg5Sc7 cuboctahedra, and faces with fourteen ScMg4Sc8 cuboctahedra. There are a spread of Sc–Sc bond distances ranging from 3.18–3.26 Å. In the second Sc site, Sc is bonded to three equivalent Mg and nine Sc atoms to form ScMg3Sc9 cuboctahedra that share corners with six equivalent MgMg5Sc7 cuboctahedra, corners with twelve ScMg4Sc8 cuboctahedra, edges with seven equivalent MgMg5Sc7 cuboctahedra, edges with eleven ScMg4Sc8 cuboctahedra, faces with seven equivalent MgMg5Sc7 cuboctahedra, and faces with thirteen ScMg4Sc8 cuboctahedra. There are two shorter (3.14 Å) and two longer (3.26 Å) Sc–Sc bond lengths.

36 MATERIALS SCIENCE↗

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↗

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↗

Materials Data on Mg4Sc by Materials Project

Mg4Sc is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are seven inequivalent Mg sites. In the first Mg site, Mg is bonded to nine Mg and three equivalent Sc atoms to form MgMg9Sc3 cuboctahedra that share corners with twelve MgMg9Sc3 cuboctahedra, edges with six equivalent ScMg6Sc6 cuboctahedra, edges with eighteen MgMg9Sc3 cuboctahedra, faces with six equivalent ScMg6Sc6 cuboctahedra, and faces with twelve MgMg9Sc3 cuboctahedra. There are six shorter (3.20 Å) and three longer (3.22 Å) Mg–Mg bond lengths. All Mg–Sc bond lengths are 3.23 Å. In the second Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with three equivalent ScMg6Sc6 cuboctahedra, corners with nine MgMg9Sc3 cuboctahedra, edges with three equivalent ScMg6Sc6 cuboctahedra, edges with twenty-one MgMg9Sc3 cuboctahedra, and faces with eighteen MgMg9Sc3 cuboctahedra. There are six shorter (3.20 Å) and three longer (3.22 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with three equivalent ScMg6Sc6 cuboctahedra, corners with nine MgMg9Sc3 cuboctahedra, edges with three equivalent ScMg6Sc6 cuboctahedra, edges with twenty-one MgMg9Sc3 cuboctahedra, and faces with eighteen MgMg9Sc3 cuboctahedra. There are six shorter (3.20 Å) and three longer (3.22 Å) Mg–Mg bond lengths. In the fourth Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with three equivalent ScMg6Sc6 cuboctahedra, corners with nine MgMg9Sc3 cuboctahedra, edges with three equivalent ScMg6Sc6 cuboctahedra, edges with twenty-one MgMg9Sc3 cuboctahedra, and faces with eighteen MgMg9Sc3 cuboctahedra. There are six shorter (3.20 Å) and six longer (3.22 Å) Mg–Mg bond lengths. In the fifth Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with three equivalent ScMg6Sc6 cuboctahedra, corners with nine MgMg9Sc3 cuboctahedra, edges with three equivalent ScMg6Sc6 cuboctahedra, edges with twenty-one MgMg9Sc3 cuboctahedra, and faces with eighteen MgMg9Sc3 cuboctahedra. There are six shorter (3.20 Å) and three longer (3.22 Å) Mg–Mg bond lengths. In the sixth Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with three equivalent ScMg6Sc6 cuboctahedra, corners with nine MgMg9Sc3 cuboctahedra, edges with three equivalent ScMg6Sc6 cuboctahedra, edges with twenty-one MgMg9Sc3 cuboctahedra, and faces with eighteen MgMg9Sc3 cuboctahedra. There are six shorter (3.20 Å) and six longer (3.22 Å) Mg–Mg bond lengths. In the seventh Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with three equivalent ScMg6Sc6 cuboctahedra, corners with nine MgMg9Sc3 cuboctahedra, edges with three equivalent ScMg6Sc6 cuboctahedra, edges with twenty-one MgMg9Sc3 cuboctahedra, and faces with eighteen MgMg9Sc3 cuboctahedra. There are six shorter (3.20 Å) and three longer (3.22 Å) Mg–Mg bond lengths. Sc is bonded to six equivalent Mg and six equivalent Sc atoms to form ScMg6Sc6 cuboctahedra that share corners with six MgMg12 cuboctahedra, corners with six equivalent ScMg6Sc6 cuboctahedra, edges with six equivalent ScMg6Sc6 cuboctahedra, edges with eighteen MgMg9Sc3 cuboctahedra, faces with six equivalent ScMg6Sc6 cuboctahedra, and faces with twelve equivalent MgMg9Sc3 cuboctahedra. All Sc–Sc bond lengths are 3.20 Å.

36 MATERIALS SCIENCE↗

Materials Data on Mg7Sc by Materials Project

Mg7Sc is alpha La-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are twenty-five 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 MgMg12 cuboctahedra, edges with twenty-four MgMg10Sc2 cuboctahedra, faces with six equivalent ScMg12 cuboctahedra, and faces with twelve MgMg10Sc2 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the fifth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the sixth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the seventh Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the eighth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the ninth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the tenth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the eleventh Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the twelfth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the thirteenth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the fourteenth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the fifteenth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the sixteenth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the seventeenth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the eighteenth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the nineteenth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the twentieth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the twenty-first Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the twenty-second Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. Both Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the twenty-third Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the twenty-fourth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. Both Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the twenty-fifth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. Both Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. Sc is bonded to twelve Mg atoms to form ScMg12 cuboctahedra that share corners with twelve equivalent ScMg12 cuboctahedra, edges with twenty-four MgMg10Sc2 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Mg5Sc by Materials Project

Mg5Sc is Magnesium-derived structured and crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with eighteen MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with fourteen MgMg10Sc2 cuboctahedra, faces with four equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg10Sc2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.16–3.30 Å. Both Mg–Sc bond lengths are 3.20 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Sc atoms to form MgMg9Sc3 cuboctahedra that share corners with nine equivalent MgMg9Sc3 cuboctahedra, corners with nine equivalent ScMg12 cuboctahedra, edges with eighteen MgMg10Sc2 cuboctahedra, faces with three equivalent ScMg12 cuboctahedra, and faces with seventeen MgMg10Sc2 cuboctahedra. There are four shorter (3.16 Å) and three longer (3.22 Å) Mg–Mg bond lengths. All Mg–Sc bond lengths are 3.22 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with eighteen MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with fourteen MgMg9Sc3 cuboctahedra, faces with four equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg10Sc2 cuboctahedra. There are two shorter (3.17 Å) and one longer (3.30 Å) Mg–Mg bond lengths. Both Mg–Sc bond lengths are 3.20 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with eighteen MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with fourteen MgMg9Sc3 cuboctahedra, faces with four equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg10Sc2 cuboctahedra. Both Mg–Sc bond lengths are 3.20 Å. Sc is bonded to twelve Mg atoms to form ScMg12 cuboctahedra that share corners with eighteen equivalent MgMg9Sc3 cuboctahedra, edges with six equivalent ScMg12 cuboctahedra, edges with twelve MgMg10Sc2 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with eighteen MgMg10Sc2 cuboctahedra.

36 MATERIALS SCIENCE↗