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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MgIn3 by Materials Project

MgIn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to twelve equivalent In atoms to form MgIn12 cuboctahedra that share corners with twelve equivalent MgIn12 cuboctahedra, edges with twenty-four equivalent InMg4In8 cuboctahedra, faces with six equivalent MgIn12 cuboctahedra, and faces with twelve equivalent InMg4In8 cuboctahedra. All Mg–In bond lengths are 3.30 Å. In is bonded to four equivalent Mg and eight equivalent In atoms to form distorted InMg4In8 cuboctahedra that share corners with twelve equivalent InMg4In8 cuboctahedra, edges with eight equivalent MgIn12 cuboctahedra, edges with sixteen equivalent InMg4In8 cuboctahedra, faces with four equivalent MgIn12 cuboctahedra, and faces with fourteen equivalent InMg4In8 cuboctahedra. All In–In bond lengths are 3.30 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg5In2 by Materials Project

Mg5In2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to four equivalent In atoms. There are a spread of Mg–In bond distances ranging from 2.97–3.20 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four equivalent In atoms. All Mg–In bond lengths are 3.07 Å. In the third Mg site, Mg is bonded in a 4-coordinate geometry to four equivalent In atoms. There are two shorter (2.97 Å) and two longer (3.11 Å) Mg–In bond lengths. In is bonded in a distorted q6 geometry to ten Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2In by Materials Project

Mg2In is zeta silver zinc structured and crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four In atoms to form a mixture of distorted edge and corner-sharing MgIn4 tetrahedra. There are two shorter (2.99 Å) and two longer (3.00 Å) Mg–In bond lengths. In the second Mg site, Mg is bonded in a 5-coordinate geometry to five In atoms. There are one shorter (3.12 Å) and four longer (3.16 Å) Mg–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to nine Mg atoms. In the second In site, In is bonded in a 9-coordinate geometry to nine Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3In by Materials Project

Mg3In is Uranium Silicide structured and crystallizes in the cubic Pm-3m 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 twelve equivalent MgMg8In4 cuboctahedra, edges with eight equivalent InMg12 cuboctahedra, edges with sixteen equivalent MgMg8In4 cuboctahedra, faces with four equivalent InMg12 cuboctahedra, and faces with fourteen equivalent MgMg8In4 cuboctahedra. All Mg–Mg bond lengths are 3.18 Å. All Mg–In bond lengths are 3.18 Å. In is bonded to twelve equivalent Mg atoms to form InMg12 cuboctahedra that share corners with twelve equivalent InMg12 cuboctahedra, edges with twenty-four equivalent MgMg8In4 cuboctahedra, faces with six equivalent InMg12 cuboctahedra, and faces with twelve equivalent MgMg8In4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3In by Materials Project

Mg3In is Uranium Silicide-like structured and crystallizes in the trigonal R-3m 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 In atoms to form distorted MgMg8In4 cuboctahedra that share corners with two equivalent InMg12 cuboctahedra, corners with thirteen MgMg8In4 cuboctahedra, edges with seven InMg12 cuboctahedra, edges with fourteen MgMg8In4 cuboctahedra, faces with four InMg12 cuboctahedra, and faces with fifteen MgMg8In4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.15–3.21 Å. There are a spread of Mg–In bond distances ranging from 3.15–3.21 Å. In the second Mg site, Mg is bonded to eight Mg and four In atoms to form distorted MgMg8In4 cuboctahedra that share corners with two equivalent InMg12 cuboctahedra, corners with thirteen MgMg8In4 cuboctahedra, edges with seven InMg12 cuboctahedra, edges with fourteen MgMg8In4 cuboctahedra, faces with four InMg12 cuboctahedra, and faces with fifteen MgMg8In4 cuboctahedra. There are four shorter (3.15 Å) and two longer (3.22 Å) Mg–Mg bond lengths. There are a spread of Mg–In bond distances ranging from 3.15–3.22 Å. There are two inequivalent In sites. In the first In site, In is bonded to twelve Mg atoms to form InMg12 cuboctahedra that share corners with six equivalent MgMg8In4 cuboctahedra, corners with nine InMg12 cuboctahedra, edges with twenty-one MgMg8In4 cuboctahedra, faces with seven InMg12 cuboctahedra, and faces with twelve MgMg8In4 cuboctahedra. In the second In site, In is bonded to twelve Mg atoms to form InMg12 cuboctahedra that share corners with six equivalent MgMg8In4 cuboctahedra, corners with nine InMg12 cuboctahedra, edges with twenty-one MgMg8In4 cuboctahedra, faces with seven InMg12 cuboctahedra, and faces with twelve MgMg8In4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgIn by Materials Project

MgIn is alpha-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to six equivalent In atoms. There are two shorter (3.06 Å) and four longer (3.11 Å) Mg–In bond lengths. In is bonded in a 6-coordinate geometry to six equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgIn2 by Materials Project

MgIn2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to twelve equivalent In atoms. All Mg–In bond lengths are 3.60 Å. In is bonded to six equivalent Mg and six equivalent In atoms to form a mixture of distorted corner, edge, and face-sharing InMg6In6 cuboctahedra. All In–In bond lengths are 3.07 Å.

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↗