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DOE OSTI2020

Materials Data on Mg5In by Materials Project

Mg5In crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with eight equivalent InMg10In2 cuboctahedra, edges with ten MgMg10In2 cuboctahedra, faces with two equivalent InMg10In2 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.18–3.22 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent In atoms to form distorted MgMg8In4 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with four equivalent InMg10In2 cuboctahedra, edges with fourteen MgMg12 cuboctahedra, faces with four equivalent InMg10In2 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.19–3.24 Å. All Mg–In bond lengths are 3.19 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent In atoms to form distorted MgMg10In2 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with six equivalent InMg10In2 cuboctahedra, and faces with fourteen MgMg12 cuboctahedra. There are four shorter (3.18 Å) and two longer (3.22 Å) Mg–Mg bond lengths. Both Mg–In bond lengths are 3.19 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent In atoms to form distorted MgMg10In2 cuboctahedra that share corners with six equivalent InMg10In2 cuboctahedra, corners with twelve MgMg10In2 cuboctahedra, edges with three equivalent InMg10In2 cuboctahedra, edges with fifteen MgMg12 cuboctahedra, faces with two equivalent InMg10In2 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are two shorter (3.19 Å) and two longer (3.22 Å) Mg–Mg bond lengths. Both Mg–In bond lengths are 3.23 Å. In the fifth Mg site, Mg is bonded to ten Mg and two equivalent In atoms to form distorted MgMg10In2 cuboctahedra that share corners with six equivalent InMg10In2 cuboctahedra, corners with twelve MgMg10In2 cuboctahedra, edges with three equivalent InMg10In2 cuboctahedra, edges with fifteen MgMg8In4 cuboctahedra, faces with two equivalent InMg10In2 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. Both Mg–Mg bond lengths are 3.22 Å. Both Mg–In bond lengths are 3.21 Å. In is bonded to ten Mg and two equivalent In atoms to form distorted InMg10In2 cuboctahedra that share corners with six equivalent InMg10In2 cuboctahedra, corners with twelve MgMg10In2 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with four equivalent InMg10In2 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. Both In–In bond lengths are 3.22 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg5In by Materials Project

Mg5In 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 In atoms to form distorted MgMg10In2 cuboctahedra that share corners with eighteen MgMg10In2 cuboctahedra, edges with six equivalent InMg10In2 cuboctahedra, edges with twelve MgMg10In2 cuboctahedra, faces with three equivalent InMg10In2 cuboctahedra, and faces with seventeen MgMg10In2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.14–3.23 Å. Both Mg–In bond lengths are 3.20 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent In atoms to form distorted MgMg10In2 cuboctahedra that share corners with six equivalent InMg10In2 cuboctahedra, corners with twelve MgMg10In2 cuboctahedra, edges with three equivalent InMg10In2 cuboctahedra, edges with fifteen MgMg10In2 cuboctahedra, faces with three equivalent InMg10In2 cuboctahedra, and faces with seventeen MgMg10In2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.17–3.23 Å. Both Mg–In bond lengths are 3.21 Å. In the third Mg site, Mg is bonded to eleven Mg and one In atom to form distorted MgMg11In cuboctahedra that share corners with eighteen MgMg10In2 cuboctahedra, edges with four equivalent InMg10In2 cuboctahedra, edges with fourteen MgMg10In2 cuboctahedra, faces with four equivalent InMg10In2 cuboctahedra, and faces with sixteen MgMg10In2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.19–3.23 Å. The Mg–In bond length is 3.18 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent In atoms to form distorted MgMg10In2 cuboctahedra that share corners with six equivalent InMg10In2 cuboctahedra, corners with twelve MgMg10In2 cuboctahedra, edges with three equivalent InMg10In2 cuboctahedra, edges with fifteen MgMg10In2 cuboctahedra, faces with three equivalent InMg10In2 cuboctahedra, and faces with seventeen MgMg10In2 cuboctahedra. There are two shorter (3.18 Å) and two longer (3.23 Å) Mg–Mg bond lengths. Both Mg–In bond lengths are 3.19 Å. In the fifth Mg site, Mg is bonded to nine Mg and three equivalent In atoms to form distorted MgMg9In3 cuboctahedra that share corners with eighteen MgMg10In2 cuboctahedra, edges with two equivalent InMg10In2 cuboctahedra, edges with sixteen MgMg10In2 cuboctahedra, faces with five equivalent InMg10In2 cuboctahedra, and faces with fifteen MgMg10In2 cuboctahedra. Both Mg–Mg bond lengths are 3.23 Å. All Mg–In bond lengths are 3.21 Å. In is bonded to ten Mg and two equivalent In atoms to form distorted InMg10In2 cuboctahedra that share corners with six equivalent InMg10In2 cuboctahedra, corners with twelve MgMg10In2 cuboctahedra, edges with eighteen MgMg10In2 cuboctahedra, faces with two equivalent InMg10In2 cuboctahedra, and faces with eighteen MgMg10In2 cuboctahedra. Both In–In bond lengths are 3.23 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg5In by Materials Project

Mg5In crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent In atoms to form distorted MgMg10In2 cuboctahedra that share corners with eighteen MgMg10In2 cuboctahedra, edges with four equivalent InMg12 cuboctahedra, edges with fourteen MgMg10In2 cuboctahedra, faces with four equivalent InMg12 cuboctahedra, and faces with sixteen MgMg10In2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.15–3.24 Å. Both Mg–In bond lengths are 3.26 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent In atoms to form distorted MgMg10In2 cuboctahedra that share corners with eighteen MgMg10In2 cuboctahedra, edges with four equivalent InMg12 cuboctahedra, edges with fourteen MgMg10In2 cuboctahedra, faces with four equivalent InMg12 cuboctahedra, and faces with sixteen MgMg10In2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.14–3.27 Å. There are one shorter (3.21 Å) and one longer (3.24 Å) Mg–In bond lengths. In the third Mg site, Mg is bonded to nine Mg and three equivalent In atoms to form distorted MgMg9In3 cuboctahedra that share corners with six equivalent InMg12 cuboctahedra, corners with twelve equivalent MgMg9In3 cuboctahedra, edges with eighteen MgMg10In2 cuboctahedra, faces with four equivalent InMg12 cuboctahedra, and faces with sixteen MgMg10In2 cuboctahedra. All Mg–Mg bond lengths are 3.15 Å. All Mg–In bond lengths are 3.15 Å. In is bonded to twelve Mg atoms to form InMg12 cuboctahedra that share corners with six equivalent InMg12 cuboctahedra, corners with twelve equivalent MgMg9In3 cuboctahedra, edges with six equivalent InMg12 cuboctahedra, edges with twelve MgMg10In2 cuboctahedra, and faces with twenty MgMg10In2 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3In by Materials Project

Mg3In crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to nine Mg and three equivalent In atoms to form distorted MgMg9In3 cuboctahedra that share corners with six equivalent InMg6 cuboctahedra, corners with twelve equivalent MgMg9In3 cuboctahedra, edges with six equivalent InMg6 cuboctahedra, edges with eighteen MgMg9In3 cuboctahedra, and faces with twelve MgMg9In3 cuboctahedra. There are three shorter (3.13 Å) and six longer (3.32 Å) Mg–Mg bond lengths. All Mg–In bond lengths are 3.15 Å. In the second Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, corners with six equivalent InMg6 cuboctahedra, edges with six equivalent InMg6 cuboctahedra, edges with eighteen MgMg9In3 cuboctahedra, and faces with eighteen MgMg9In3 cuboctahedra. All Mg–Mg bond lengths are 3.32 Å. In the third Mg site, Mg is bonded to nine Mg and three equivalent In atoms to form distorted MgMg9In3 cuboctahedra that share corners with six equivalent InMg6 cuboctahedra, corners with seventeen MgMg9In3 cuboctahedra, edges with six equivalent InMg6 cuboctahedra, edges with sixteen MgMg9In3 cuboctahedra, and faces with fifteen MgMg9In3 cuboctahedra. There are three shorter (3.13 Å) and six longer (3.32 Å) Mg–Mg bond lengths. All Mg–In bond lengths are 3.15 Å. In the fourth Mg site, Mg is bonded to sixteen Mg atoms to form MgMg16 cuboctahedra that share corners with six equivalent InMg6 cuboctahedra, corners with sixteen MgMg9In3 cuboctahedra, edges with six equivalent InMg6 cuboctahedra, edges with eighteen MgMg9In3 cuboctahedra, and faces with thirty-four MgMg9In3 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.13–6.63 Å. In the fifth Mg site, Mg is bonded to nine Mg and three equivalent In atoms to form distorted MgMg9In3 cuboctahedra that share corners with six equivalent InMg6 cuboctahedra, corners with seventeen MgMg9In3 cuboctahedra, edges with six equivalent InMg6 cuboctahedra, edges with sixteen MgMg9In3 cuboctahedra, and faces with fifteen MgMg9In3 cuboctahedra. All Mg–Mg bond lengths are 3.32 Å. All Mg–In bond lengths are 3.15 Å. In is bonded to six equivalent Mg atoms to form distorted InMg6 cuboctahedra that share corners with eighteen MgMg9In3 cuboctahedra, edges with six equivalent InMg6 cuboctahedra, and edges with eighteen MgMg9In3 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgIn5 by Materials Project

MgIn5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to twelve In atoms to form MgIn12 cuboctahedra that share corners with eighteen equivalent InMg3In9 cuboctahedra, edges with six equivalent MgIn12 cuboctahedra, faces with two equivalent MgIn12 cuboctahedra, and faces with six equivalent InMg3In9 cuboctahedra. There are six shorter (3.22 Å) and six longer (3.48 Å) Mg–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded to three equivalent Mg and nine In atoms to form distorted InMg3In9 cuboctahedra that share corners with nine equivalent MgIn12 cuboctahedra, corners with nine equivalent InMg3In9 cuboctahedra, edges with six equivalent InMg3In9 cuboctahedra, faces with three equivalent MgIn12 cuboctahedra, and faces with five equivalent InMg3In9 cuboctahedra. There are six shorter (3.25 Å) and three longer (3.48 Å) In–In bond lengths. In the second In site, In is bonded in a distorted water-like geometry to two equivalent Mg and four equivalent In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgIn2 by Materials Project

MgIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to two equivalent Mg and ten In atoms to form distorted MgMg2In10 cuboctahedra that share corners with six equivalent MgMg2In10 cuboctahedra, corners with twelve InMg4In8 cuboctahedra, edges with eight equivalent MgMg2In10 cuboctahedra, edges with ten InMg4In8 cuboctahedra, faces with six equivalent MgMg2In10 cuboctahedra, and faces with fourteen InMg4In8 cuboctahedra. Both Mg–Mg bond lengths are 3.23 Å. There are a spread of Mg–In bond distances ranging from 3.21–3.39 Å. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Mg and eight In atoms to form distorted InMg4In8 cuboctahedra that share corners with six equivalent MgMg2In10 cuboctahedra, corners with twelve InMg4In8 cuboctahedra, edges with three equivalent MgMg2In10 cuboctahedra, edges with fifteen InMg4In8 cuboctahedra, faces with eight equivalent MgMg2In10 cuboctahedra, and faces with twelve InMg4In8 cuboctahedra. There are a spread of In–In bond distances ranging from 3.23–3.35 Å. In the second In site, In is bonded to six equivalent Mg and six In atoms to form distorted InMg6In6 cuboctahedra that share corners with six equivalent MgMg2In10 cuboctahedra, corners with twelve InMg4In8 cuboctahedra, edges with seven equivalent MgMg2In10 cuboctahedra, edges with eleven equivalent InMg4In8 cuboctahedra, faces with six equivalent MgMg2In10 cuboctahedra, and faces with fourteen InMg4In8 cuboctahedra. There are two shorter (3.23 Å) and two longer (3.34 Å) In–In bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgIn2 by Materials Project

MgIn2 crystallizes in the monoclinic Cm 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 eight In atoms. There are a spread of Mg–In bond distances ranging from 3.16–3.37 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight In atoms. There are a spread of Mg–In bond distances ranging from 3.11–3.31 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to three Mg and nine In atoms. There are a spread of In–In bond distances ranging from 3.11–3.48 Å. In the second In site, In is bonded in a 12-coordinate geometry to four Mg and three equivalent In atoms. In the third In site, In is bonded in a 12-coordinate geometry to four Mg and two equivalent In atoms. In the fourth In site, In is bonded in a 12-coordinate geometry to five Mg and two equivalent In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2In by Materials Project

Mg2In 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 4-coordinate geometry to four equivalent In atoms. There are two shorter (3.10 Å) and two longer (3.14 Å) Mg–In bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to six equivalent In atoms. There are four shorter (3.17 Å) and two longer (3.19 Å) Mg–In bond lengths. In is bonded in a 10-coordinate geometry to ten Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgIn2 by Materials Project

MgIn2 crystallizes in the orthorhombic Amm2 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 eight In atoms. There are a spread of Mg–In bond distances ranging from 3.22–3.33 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight In atoms. There are a spread of Mg–In bond distances ranging from 3.20–3.35 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 2-coordinate geometry to two equivalent Mg and two equivalent In atoms. Both In–In bond lengths are 3.22 Å. In the second In site, In is bonded in a 12-coordinate geometry to four equivalent Mg and six In atoms. There are two shorter (3.23 Å) and two longer (3.25 Å) In–In bond lengths. In the third In site, In is bonded in a 12-coordinate geometry to six Mg and two equivalent In atoms. In the fourth In site, In is bonded in a 4-coordinate geometry to four Mg and two equivalent In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg5In by Materials Project

Mg5In crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent In atoms to form distorted MgMg10In2 cuboctahedra that share corners with eighteen MgMg10In2 cuboctahedra, edges with four equivalent InMg12 cuboctahedra, edges with fourteen MgMg10In2 cuboctahedra, faces with four equivalent InMg12 cuboctahedra, and faces with sixteen MgMg10In2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.18–3.20 Å. Both Mg–In bond lengths are 3.19 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent In atoms to form distorted MgMg9In3 cuboctahedra that share corners with nine equivalent MgMg9In3 cuboctahedra, corners with nine equivalent InMg12 cuboctahedra, edges with eighteen MgMg10In2 cuboctahedra, faces with three equivalent InMg12 cuboctahedra, and faces with seventeen MgMg10In2 cuboctahedra. There are two shorter (3.18 Å) and three longer (3.20 Å) Mg–Mg bond lengths. All Mg–In bond lengths are 3.20 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent In atoms to form distorted MgMg10In2 cuboctahedra that share corners with eighteen equivalent MgMg10In2 cuboctahedra, edges with four equivalent InMg12 cuboctahedra, edges with fourteen MgMg9In3 cuboctahedra, faces with four equivalent InMg12 cuboctahedra, and faces with sixteen MgMg10In2 cuboctahedra. Both Mg–In bond lengths are 3.19 Å. In is bonded to twelve Mg atoms to form InMg12 cuboctahedra that share corners with eighteen equivalent MgMg9In3 cuboctahedra, edges with six equivalent InMg12 cuboctahedra, edges with twelve MgMg10In2 cuboctahedra, faces with two equivalent InMg12 cuboctahedra, and faces with eighteen MgMg10In2 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgIn2 by Materials Project

MgIn2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one MgIn2 sheet oriented in the (0, 0, 1) direction. Mg is bonded in a 12-coordinate geometry to seven In atoms. There are a spread of Mg–In bond distances ranging from 3.11–3.24 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to two equivalent Mg atoms. In the second In site, In is bonded in a 12-coordinate geometry to five equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgIn2 by Materials Project

MgIn2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one MgIn2 sheet oriented in the (0, 0, 1) direction. Mg is bonded in a 12-coordinate geometry to seven In atoms. There are a spread of Mg–In bond distances ranging from 3.18–3.24 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to four equivalent Mg atoms. In the second In site, In is bonded in a 12-coordinate geometry to three equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgIn2 by Materials Project

MgIn2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded to six In atoms to form distorted MgIn6 cuboctahedra that share corners with six equivalent MgIn6 cuboctahedra, corners with six equivalent InIn12 cuboctahedra, edges with six equivalent MgIn6 cuboctahedra, a faceface with one MgIn6 cuboctahedra, and a faceface with one InIn12 cuboctahedra. There are three shorter (3.18 Å) and three longer (3.20 Å) Mg–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to three equivalent Mg and three equivalent In atoms. All In–In bond lengths are 3.48 Å. In the second In site, In is bonded to twelve In atoms to form InIn12 cuboctahedra that share corners with six equivalent InIn12 cuboctahedra, corners with twelve equivalent MgIn6 cuboctahedra, edges with six equivalent InIn12 cuboctahedra, faces with two equivalent MgIn6 cuboctahedra, and faces with six equivalent InIn12 cuboctahedra. All In–In bond lengths are 3.33 Å. In the third In site, In is bonded to six equivalent Mg atoms to form distorted edge-sharing InMg6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgIn2 by Materials Project

MgIn2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two MgIn2 sheets oriented in the (0, 0, 1) direction. Mg is bonded in a distorted body-centered cubic geometry to eight equivalent In atoms. All Mg–In bond lengths are 3.19 Å. In is bonded to four equivalent Mg atoms to form a mixture of distorted edge, corner, and face-sharing InMg4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3In by Materials Project

Mg3In is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent In atoms to form distorted MgMg8In4 cuboctahedra that share corners with four equivalent InMg12 cuboctahedra, corners with fourteen equivalent MgMg8In4 cuboctahedra, edges with six equivalent InMg12 cuboctahedra, edges with twelve equivalent MgMg8In4 cuboctahedra, faces with four equivalent InMg12 cuboctahedra, and faces with sixteen equivalent MgMg8In4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.16–3.20 Å. There are two shorter (3.17 Å) and two longer (3.21 Å) Mg–In bond lengths. In is bonded to twelve equivalent Mg atoms to form InMg12 cuboctahedra that share corners with six equivalent InMg12 cuboctahedra, corners with twelve equivalent MgMg8In4 cuboctahedra, edges with eighteen equivalent MgMg8In4 cuboctahedra, faces with eight equivalent InMg12 cuboctahedra, and faces with twelve equivalent MgMg8In4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgIn5 by Materials Project

MgIn5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to ten In atoms. There are a spread of Mg–In bond distances ranging from 3.21–3.45 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to two equivalent Mg and seven In atoms. There are a spread of In–In bond distances ranging from 3.18–3.30 Å. In the second In site, In is bonded in a 12-coordinate geometry to two equivalent Mg and five In atoms. Both In–In bond lengths are 3.48 Å. In the third In site, In is bonded in a 12-coordinate geometry to one Mg and eleven In atoms. There are a spread of In–In bond distances ranging from 3.18–3.52 Å. In the fourth In site, In is bonded in a 12-coordinate geometry to two equivalent Mg and three equivalent In atoms. In the fifth In site, In is bonded in a 12-coordinate geometry to three equivalent Mg and four In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgIn2 by Materials Project

MgIn2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one MgIn2 ribbon oriented in the (0, 1, 1) direction. Mg is bonded in a 4-coordinate geometry to four In atoms. There are a spread of Mg–In bond distances ranging from 2.81–3.01 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 2-coordinate geometry to two equivalent Mg atoms. In the second In site, In is bonded in a 2-coordinate geometry to two equivalent Mg atoms.

36 MATERIALS SCIENCE↗