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Materials Data on TmMg by Materials Project

TmMg 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 Tm atoms. All Mg–Tm bond lengths are 3.25 Å. Tm is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.

36 MATERIALS SCIENCE↗

Materials Data on TmMg2 by Materials Project

TmMg2 is Hexagonal Laves structured and 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 to six equivalent Mg and six equivalent Tm atoms to form a mixture of edge, corner, and face-sharing MgTm6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.02 Å. All Mg–Tm bond lengths are 3.52 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Tm atoms to form a mixture of edge, corner, and face-sharing MgTm6Mg6 cuboctahedra. There are two shorter (2.92 Å) and two longer (3.08 Å) Mg–Mg bond lengths. There are two shorter (3.49 Å) and four longer (3.51 Å) Mg–Tm bond lengths. Tm is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Tm atoms. There are one shorter (3.64 Å) and three longer (3.68 Å) Tm–Tm bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on Tm2Mg by Materials Project

Tm2Mg crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a 8-coordinate geometry to eight Tm atoms. There are a spread of Mg–Tm bond distances ranging from 3.28–3.33 Å. There are two inequivalent Tm sites. In the first Tm site, Tm is bonded to six equivalent Mg and six Tm atoms to form a mixture of distorted edge, face, and corner-sharing TmTm6Mg6 cuboctahedra. There are a spread of Tm–Tm bond distances ranging from 3.49–3.58 Å. In the second Tm site, Tm is bonded to two equivalent Mg and ten Tm atoms to form a mixture of distorted edge, face, and corner-sharing TmTm10Mg2 cuboctahedra. There are four shorter (3.35 Å) and two longer (3.58 Å) Tm–Tm bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on TmMg5 by Materials Project

Mg5Tm 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 in a 12-coordinate geometry to nine Mg and two equivalent Tm atoms. There are a spread of Mg–Mg bond distances ranging from 3.15–3.39 Å. Both Mg–Tm bond lengths are 3.26 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to nine Mg and two equivalent Tm atoms. There are a spread of Mg–Mg bond distances ranging from 3.11–3.39 Å. Both Mg–Tm bond lengths are 3.21 Å. In the third Mg site, Mg is bonded to eleven Mg and one Tm atom to form distorted MgTmMg11 cuboctahedra that share corners with twelve MgTmMg11 cuboctahedra, edges with four equivalent TmTm2Mg10 cuboctahedra, edges with five MgTm2Mg10 cuboctahedra, faces with four equivalent TmTm2Mg10 cuboctahedra, and faces with ten MgTmMg11 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.25–3.41 Å. The Mg–Tm bond length is 3.32 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Tm atoms to form distorted MgTm2Mg10 cuboctahedra that share corners with six equivalent MgTm2Mg10 cuboctahedra, corners with six equivalent TmTm2Mg10 cuboctahedra, edges with three equivalent TmTm2Mg10 cuboctahedra, edges with eight MgTmMg11 cuboctahedra, faces with three equivalent TmTm2Mg10 cuboctahedra, and faces with ten MgTmMg11 cuboctahedra. There are two shorter (3.14 Å) and two longer (3.39 Å) Mg–Mg bond lengths. Both Mg–Tm bond lengths are 3.30 Å. In the fifth Mg site, Mg is bonded to nine Mg and three equivalent Tm atoms to form MgTm3Mg9 cuboctahedra that share corners with twelve MgTmMg11 cuboctahedra, edges with two equivalent TmTm2Mg10 cuboctahedra, edges with nine MgTmMg11 cuboctahedra, faces with five equivalent TmTm2Mg10 cuboctahedra, and faces with eight MgTmMg11 cuboctahedra. Both Mg–Mg bond lengths are 3.39 Å. There are two shorter (3.32 Å) and one longer (3.39 Å) Mg–Tm bond lengths. Tm is bonded to ten Mg and two equivalent Tm atoms to form distorted TmTm2Mg10 cuboctahedra that share corners with six equivalent MgTm2Mg10 cuboctahedra, corners with six equivalent TmTm2Mg10 cuboctahedra, edges with nine MgTmMg11 cuboctahedra, faces with two equivalent TmTm2Mg10 cuboctahedra, and faces with twelve MgTmMg11 cuboctahedra. Both Tm–Tm bond lengths are 3.39 Å.

36 MATERIALS SCIENCE↗

Materials Data on TmMg5 by Materials Project

Mg5Tm is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to nine Mg and three equivalent Tm atoms to form MgTm3Mg9 cuboctahedra that share corners with eighteen MgTm3Mg9 cuboctahedra, edges with six equivalent TmTm6Mg6 cuboctahedra, edges with twelve MgTm3Mg9 cuboctahedra, faces with six equivalent TmTm6Mg6 cuboctahedra, and faces with fourteen MgTm3Mg9 cuboctahedra. There are three shorter (3.19 Å) and six longer (3.25 Å) Mg–Mg bond lengths. All Mg–Tm bond lengths are 3.37 Å. In the second Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent TmTm6Mg6 cuboctahedra, corners with twelve MgMg12 cuboctahedra, edges with eighteen MgTm3Mg9 cuboctahedra, a faceface with one TmTm6Mg6 cuboctahedra, and faces with nineteen MgTm3Mg9 cuboctahedra. There are three shorter (3.18 Å) and six longer (3.25 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 eighteen MgTm3Mg9 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, and faces with twenty MgTm3Mg9 cuboctahedra. There are three shorter (3.18 Å) and six longer (3.25 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 six equivalent TmTm6Mg6 cuboctahedra, corners with twelve MgMg12 cuboctahedra, edges with eighteen MgTm3Mg9 cuboctahedra, a faceface with one TmTm6Mg6 cuboctahedra, and faces with nineteen MgTm3Mg9 cuboctahedra. There are three shorter (3.19 Å) and six longer (3.25 Å) Mg–Mg bond lengths. Tm is bonded to six equivalent Mg and six equivalent Tm atoms to form TmTm6Mg6 cuboctahedra that share corners with six equivalent TmTm6Mg6 cuboctahedra, corners with twelve MgMg12 cuboctahedra, edges with six equivalent TmTm6Mg6 cuboctahedra, edges with twelve equivalent MgTm3Mg9 cuboctahedra, faces with six equivalent TmTm6Mg6 cuboctahedra, and faces with fourteen MgTm3Mg9 cuboctahedra. All Tm–Tm bond lengths are 3.25 Å.

36 MATERIALS SCIENCE↗

Materials Data on Tm3Mg by Materials Project

MgTm3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Tm atoms to form MgTm12 cuboctahedra that share corners with six equivalent MgTm12 cuboctahedra, corners with twelve equivalent TmTm8Mg4 cuboctahedra, edges with eighteen equivalent TmTm8Mg4 cuboctahedra, faces with eight equivalent MgTm12 cuboctahedra, and faces with twelve equivalent TmTm8Mg4 cuboctahedra. There are six shorter (3.38 Å) and six longer (3.46 Å) Mg–Tm bond lengths. Tm is bonded to four equivalent Mg and eight equivalent Tm atoms to form TmTm8Mg4 cuboctahedra that share corners with four equivalent MgTm12 cuboctahedra, corners with fourteen equivalent TmTm8Mg4 cuboctahedra, edges with six equivalent MgTm12 cuboctahedra, edges with twelve equivalent TmTm8Mg4 cuboctahedra, faces with four equivalent MgTm12 cuboctahedra, and faces with sixteen equivalent TmTm8Mg4 cuboctahedra. There are a spread of Tm–Tm bond distances ranging from 3.41–3.50 Å.

36 MATERIALS SCIENCE↗

Materials Data on TmMg5 by Materials Project

Mg5Tm is Magnesium-derived structured and 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 TmTm2Mg10 cuboctahedra, edges with ten MgTm4Mg8 cuboctahedra, faces with two equivalent TmTm2Mg10 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.20–3.27 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Tm atoms to form MgTm4Mg8 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with four equivalent TmTm2Mg10 cuboctahedra, edges with fourteen MgMg12 cuboctahedra, faces with four equivalent TmTm2Mg10 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.22–3.34 Å. All Mg–Tm bond lengths are 3.27 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Tm atoms to form MgTm2Mg10 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with six equivalent TmTm2Mg10 cuboctahedra, and faces with fourteen MgMg12 cuboctahedra. There are two shorter (3.22 Å) and four longer (3.27 Å) Mg–Mg bond lengths. Both Mg–Tm bond lengths are 3.33 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Tm atoms to form MgTm2Mg10 cuboctahedra that share corners with six equivalent TmTm2Mg10 cuboctahedra, corners with twelve MgTm2Mg10 cuboctahedra, edges with three equivalent TmTm2Mg10 cuboctahedra, edges with fifteen MgMg12 cuboctahedra, faces with two equivalent TmTm2Mg10 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are two shorter (3.16 Å) and two longer (3.22 Å) Mg–Mg bond lengths. Both Mg–Tm bond lengths are 3.28 Å. In the fifth Mg site, Mg is bonded to ten Mg and two equivalent Tm atoms to form MgTm2Mg10 cuboctahedra that share corners with six equivalent TmTm2Mg10 cuboctahedra, corners with twelve MgTm2Mg10 cuboctahedra, edges with three equivalent TmTm2Mg10 cuboctahedra, edges with fifteen MgTm4Mg8 cuboctahedra, faces with two equivalent TmTm2Mg10 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. Both Mg–Mg bond lengths are 3.22 Å. Both Mg–Tm bond lengths are 3.33 Å. Tm is bonded to ten Mg and two equivalent Tm atoms to form TmTm2Mg10 cuboctahedra that share corners with six equivalent TmTm2Mg10 cuboctahedra, corners with twelve MgTm2Mg10 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with four equivalent TmTm2Mg10 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. Both Tm–Tm bond lengths are 3.22 Å.

36 MATERIALS SCIENCE↗

Materials Data on TmMg3 by Materials Project

Mg3Tm is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tm atoms. All Mg–Mg bond lengths are 3.16 Å. All Mg–Tm bond lengths are 3.16 Å. In the second Mg site, Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Tm atoms. All Mg–Tm bond lengths are 3.64 Å. Tm is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms.

36 MATERIALS SCIENCE↗

Materials Data on TmMg2 by Materials Project

TmMg2 is Cubic Laves structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six equivalent Tm atoms to form a mixture of edge, face, and corner-sharing MgTm6Mg6 cuboctahedra. All Mg–Mg bond lengths are 2.99 Å. All Mg–Tm bond lengths are 3.50 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Tm atoms to form a mixture of edge, face, and corner-sharing MgTm6Mg6 cuboctahedra. All Mg–Mg bond lengths are 2.98 Å. There are a spread of Mg–Tm bond distances ranging from 3.49–3.51 Å. Tm is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Tm atoms. There are three shorter (3.65 Å) and one longer (3.67 Å) Tm–Tm bond lengths.

36 MATERIALS SCIENCE↗