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At least 811 records · Page 45
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DOE OSTI2020

Materials Data on Tm6Al7Cu16 by Materials Project

Tm6Cu16Al7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to eight Cu and four equivalent Al atoms. There are four shorter (2.94 Å) and four longer (3.01 Å) Tm–Cu bond lengths. All Tm–Al bond lengths are 3.09 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Tm, six Cu, and three equivalent Al atoms. All Cu–Cu bond lengths are 2.67 Å. All Cu–Al bond lengths are 2.49 Å. In the second Cu site, Cu is bonded in a 7-coordinate geometry to three equivalent Tm, three equivalent Cu, and four Al atoms. There are one shorter (2.55 Å) and three longer (2.67 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Tm and eight Cu atoms to form a mixture of distorted face and corner-sharing AlTm4Cu8 cuboctahedra. In the second Al site, Al is bonded in a body-centered cubic geometry to eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗
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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↗
DOE OSTI2020

Materials Data on TmMg2 by Materials Project

TmMg2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg is bonded in a 11-coordinate geometry to five equivalent Mg and six equivalent Tm atoms. There are three shorter (3.00 Å) and two longer (3.26 Å) Mg–Mg bond lengths. There are three shorter (3.41 Å) and three longer (3.42 Å) Mg–Tm bond lengths. Tm is bonded in a 12-coordinate geometry to twelve equivalent Mg and two equivalent Tm atoms. Both Tm–Tm bond lengths are 3.26 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmCd2 by Materials Project

TmCd2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tm is bonded to two equivalent Tm and six equivalent Cd atoms to form TmTm2Cd6 hexagonal bipyramids that share corners with two equivalent TmTm2Cd6 hexagonal bipyramids, corners with six equivalent CdTm3Cd5 hexagonal bipyramids, edges with six equivalent TmTm2Cd6 hexagonal bipyramids, and edges with eighteen equivalent CdTm3Cd5 hexagonal bipyramids. Both Tm–Tm bond lengths are 3.20 Å. All Tm–Cd bond lengths are 3.12 Å. Cd is bonded to three equivalent Tm and five equivalent Cd atoms to form distorted CdTm3Cd5 hexagonal bipyramids that share corners with three equivalent TmTm2Cd6 hexagonal bipyramids, corners with five equivalent CdTm3Cd5 hexagonal bipyramids, edges with nine equivalent TmTm2Cd6 hexagonal bipyramids, and edges with fifteen equivalent CdTm3Cd5 hexagonal bipyramids. There are three shorter (3.14 Å) and two longer (3.20 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmSi2Ni by Materials Project

TmNiSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to four equivalent Ni and ten Si atoms. All Tm–Ni bond lengths are 3.00 Å. There are a spread of Tm–Si bond distances ranging from 2.98–3.10 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Tm and five Si atoms. There are a spread of Ni–Si bond distances ranging from 2.25–2.32 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Tm, one Ni, and two equivalent Si atoms. Both Si–Si bond lengths are 2.36 Å. In the second Si site, Si is bonded in a 12-coordinate geometry to four equivalent Tm, four equivalent Ni, and four equivalent Si atoms. All Si–Si bond lengths are 2.77 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmCoSi2 by Materials Project

TmCoSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 4-coordinate geometry to four equivalent Co and ten Si atoms. All Tm–Co bond lengths are 3.04 Å. There are a spread of Tm–Si bond distances ranging from 3.00–3.12 Å. Co is bonded in a 9-coordinate geometry to four equivalent Tm and five Si atoms. There are one shorter (2.21 Å) and four longer (2.30 Å) Co–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Tm, one Co, and two equivalent Si atoms. Both Si–Si bond lengths are 2.41 Å. In the second Si site, Si is bonded in a 12-coordinate geometry to four equivalent Tm and four equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3Al by Materials Project

Tm3Al is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded to eight equivalent Tm and four equivalent Al atoms to form distorted TmTm8Al4 cuboctahedra that share corners with four equivalent AlTm12 cuboctahedra, corners with fourteen equivalent TmTm8Al4 cuboctahedra, edges with six equivalent AlTm12 cuboctahedra, edges with twelve equivalent TmTm8Al4 cuboctahedra, faces with four equivalent AlTm12 cuboctahedra, and faces with sixteen equivalent TmTm8Al4 cuboctahedra. There are a spread of Tm–Tm bond distances ranging from 3.23–3.49 Å. There are two shorter (3.24 Å) and two longer (3.36 Å) Tm–Al bond lengths. Al is bonded to twelve equivalent Tm atoms to form AlTm12 cuboctahedra that share corners with six equivalent AlTm12 cuboctahedra, corners with twelve equivalent TmTm8Al4 cuboctahedra, edges with eighteen equivalent TmTm8Al4 cuboctahedra, faces with eight equivalent AlTm12 cuboctahedra, and faces with twelve equivalent TmTm8Al4 cuboctahedra.

36 MATERIALS SCIENCE↗
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Materials Data on TmAlCu4 by Materials Project

TmCu4Al crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tm is bonded in a 6-coordinate geometry to fifteen Cu and three equivalent Al atoms. There are three shorter (2.95 Å) and twelve longer (3.26 Å) Tm–Cu bond lengths. All Tm–Al bond lengths are 2.95 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Tm, six equivalent Cu, and three equivalent Al atoms to form CuTm3Al3Cu6 cuboctahedra that share corners with nine equivalent AlTm3Cu9 cuboctahedra, corners with twelve equivalent CuTm4Al2Cu6 cuboctahedra, edges with six equivalent CuTm3Al3Cu6 cuboctahedra, faces with three equivalent AlTm3Cu9 cuboctahedra, and faces with twenty CuTm3Al3Cu6 cuboctahedra. All Cu–Cu bond lengths are 2.50 Å. All Cu–Al bond lengths are 2.95 Å. In the second Cu site, Cu is bonded to four equivalent Tm, six Cu, and two equivalent Al atoms to form distorted CuTm4Al2Cu6 cuboctahedra that share corners with four equivalent AlTm3Cu9 cuboctahedra, corners with twenty CuTm3Al3Cu6 cuboctahedra, edges with ten equivalent CuTm4Al2Cu6 cuboctahedra, faces with six equivalent AlTm3Cu9 cuboctahedra, and faces with sixteen CuTm3Al3Cu6 cuboctahedra. There are two shorter (2.55 Å) and two longer (2.57 Å) Cu–Cu bond lengths. Both Cu–Al bond lengths are 2.50 Å. Al is bonded to three equivalent Tm and nine Cu atoms to form distorted AlTm3Cu9 cuboctahedra that share corners with twenty-one CuTm3Al3Cu6 cuboctahedra, edges with six equivalent AlTm3Cu9 cuboctahedra, faces with two equivalent AlTm3Cu9 cuboctahedra, and faces with twenty-one CuTm3Al3Cu6 cuboctahedra.

36 MATERIALS SCIENCE↗
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Materials Data on Sm4(TmS2)11 by Materials Project

Sm4(TmS2)11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are six inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedra tilt angles range from 48–59°. There are a spread of Tm–S bond distances ranging from 2.61–2.75 Å. In the second Tm3+ site, Tm3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedra tilt angles range from 48–59°. There are a spread of Tm–S bond distances ranging from 2.63–2.74 Å. In the third Tm3+ site, Tm3+ is bonded to six S2- atoms to form TmS6 octahedra that share corners with three equivalent TmS6 octahedra, a cornercorner with one TmS7 pentagonal bipyramid, edges with four equivalent TmS6 octahedra, and edges with two equivalent TmS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 51–63°. There are a spread of Tm–S bond distances ranging from 2.64–2.74 Å. In the fourth Tm3+ site, Tm3+ is bonded to seven S2- atoms to form distorted TmS7 pentagonal bipyramids that share corners with three TmS6 octahedra, edges with two equivalent TmS6 octahedra, and edges with four equivalent TmS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 39–50°. There are a spread of Tm–S bond distances ranging from 2.67–2.86 Å. In the fifth Tm3+ site, Tm3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Tm–S bond lengths are 2.71 Å. In the sixth Tm3+ site, Tm3+ is bonded to six S2- atoms to form TmS6 octahedra that share corners with three equivalent TmS6 octahedra, corners with two equivalent TmS7 pentagonal bipyramids, and edges with four TmS6 octahedra. The corner-sharing octahedra tilt angles range from 51–63°. There are a spread of Tm–S bond distances ranging from 2.64–2.76 Å. There are two inequivalent Sm+2.75+ sites. In the first Sm+2.75+ site, Sm+2.75+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Sm–S bond distances ranging from 2.87–3.39 Å. In the second Sm+2.75+ site, Sm+2.75+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sm–S bond distances ranging from 2.87–3.02 Å. There are eleven inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Tm3+ and three Sm+2.75+ atoms to form distorted SSm3Tm2 trigonal bipyramids that share corners with four SSm2Tm3 square pyramids, corners with two equivalent SSm2Tm3 trigonal bipyramids, a cornercorner with one SSmTm3 trigonal pyramid, edges with three SSm2Tm3 square pyramids, and edges with five SSm3Tm2 trigonal bipyramids. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Tm3+ atoms. In the third S2- site, S2- is bonded to two equivalent Tm3+ and three Sm+2.75+ atoms to form distorted SSm3Tm2 trigonal bipyramids that share corners with six SSm2Tm3 square pyramids, corners with four equivalent STm4 trigonal pyramids, edges with two SSm2Tm3 square pyramids, edges with six SSm3Tm2 trigonal bipyramids, and edges with three SSmTm3 trigonal pyramids. In the fourth S2- site, S2- is bonded to three Tm3+ and two equivalent Sm+2.75+ atoms to form distorted SSm2Tm3 square pyramids that share corners with four SSm2Tm3 square pyramids, corners with two equivalent SSm3Tm2 trigonal bipyramids, corners with two equivalent SSmTm3 trigonal pyramids, edges with four SSm2Tm3 square pyramids, and edges with three SSm3Tm2 trigonal bipyramids. In the fifth S2- site, S2- is bonded to three Tm3+ and one Sm+2.75+ atom to form distorted SSmTm3 trigonal pyramids that share corners with four SSm2Tm3 square pyramids, corners with two SSm3Tm2 trigonal bipyramids, corners with five SSmTm3 trigonal pyramids, edges with three SSm2Tm3 square pyramids, and edges with two equivalent SSm3Tm2 trigonal bipyramids. In the sixth S2- site, S2- is bonded to four Tm3+ atoms to form distorted STm4 trigonal pyramids that share corners with five SSm3Tm2 trigonal bipyramids, corners with five SSmTm3 trigonal pyramids, edges with three SSm2Tm3 trigonal bipyramids, and edges with two equivalent STm4 trigonal pyramids. In the seventh S2- site, S2- is bonded to three Tm3+ and two equivalent Sm+2.75+ atoms to form distorted SSm2Tm3 trigonal bipyramids that share corners with two equivalent SSm2Tm3 square pyramids, corners with two equivalent SSm3Tm2 trigonal bipyramids, corners with two SSmTm3 trigonal pyramids, an edgeedge with one SSm2Tm3 square pyramid, edges with five SSm3Tm2 trigonal bipyramids, and edges with two equivalent STm4 trigonal pyramids. In the eighth S2- site, S2- is bonded in a 4-coordinate geometry to three Tm3+ and one Sm+2.75+ atom. In the ninth S2- site, S2- is bonded to three Tm3+ and two equivalent Sm+2.75+ atoms to form distorted SSm2Tm3 square pyramids that share corners with six SSm3Tm2 trigonal bipyramids, corners with two equivalent SSmTm3 trigonal pyramids, edges with four SSm2Tm3 square pyramids, edges with two SSm3Tm2 trigonal bipyramids, and an edgeedge with one SSmTm3 trigonal pyramid. In the tenth S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Tm3+ atoms. In the eleventh S2- site, S2- is bonded to three Tm3+ and two equivalent Sm+2.75+ atoms to form distorted SSm2Tm3 square pyramids that share corners with two equivalent SSm2Tm3 square pyramids, corners with four SSm3Tm2 trigonal bipyramids, edges with five SSm2Tm3 square pyramids, an edgeedge with one SSm3Tm2 trigonal bipyramid, and edges with two equivalent SSmTm3 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmSnPt by Materials Project

TmPtSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to five Pt and six equivalent Sn atoms. There are four shorter (3.02 Å) and one longer (3.03 Å) Tm–Pt bond lengths. There are two shorter (3.20 Å) and four longer (3.32 Å) Tm–Sn bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent Sn atoms. All Pt–Sn bond lengths are 2.78 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent Sn atoms. All Pt–Sn bond lengths are 2.81 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Tm and four Pt atoms.

36 MATERIALS SCIENCE↗
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Materials Data on LiTmSn2 by Materials Project

LiTmSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Tm and five Sn atoms. All Li–Tm bond lengths are 3.37 Å. There are a spread of Li–Sn bond distances ranging from 2.45–2.67 Å. Tm is bonded in a 12-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of Tm–Sn bond distances ranging from 3.32–3.61 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted single-bond geometry to one Li and six equivalent Tm atoms. In the second Sn site, Sn is bonded to four equivalent Li and four equivalent Tm atoms to form a mixture of face and edge-sharing SnLi4Tm4 tetrahedra.

36 MATERIALS SCIENCE↗
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Materials Data on TmSnPd by Materials Project

TmPdSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to five Pd and six equivalent Sn atoms. There are four shorter (3.01 Å) and one longer (3.06 Å) Tm–Pd bond lengths. There are two shorter (3.20 Å) and four longer (3.30 Å) Tm–Sn bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent Sn atoms. All Pd–Sn bond lengths are 2.78 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent Sn atoms. All Pd–Sn bond lengths are 2.85 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Tm and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3Th by Materials Project

ThTm3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded to twelve equivalent Tm atoms to form ThTm12 cuboctahedra that share corners with six equivalent ThTm12 cuboctahedra, corners with twelve equivalent TmTm8Th4 cuboctahedra, edges with eighteen equivalent TmTm8Th4 cuboctahedra, faces with eight equivalent ThTm12 cuboctahedra, and faces with twelve equivalent TmTm8Th4 cuboctahedra. There are six shorter (3.52 Å) and six longer (3.54 Å) Th–Tm bond lengths. Tm is bonded to four equivalent Th and eight equivalent Tm atoms to form TmTm8Th4 cuboctahedra that share corners with four equivalent ThTm12 cuboctahedra, corners with fourteen equivalent TmTm8Th4 cuboctahedra, edges with six equivalent ThTm12 cuboctahedra, edges with twelve equivalent TmTm8Th4 cuboctahedra, faces with four equivalent ThTm12 cuboctahedra, and faces with sixteen equivalent TmTm8Th4 cuboctahedra. There are a spread of Tm–Tm bond distances ranging from 3.52–3.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3In by Materials Project

Tm3In is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded to eight equivalent Tm and four equivalent In atoms to form distorted TmTm8In4 cuboctahedra that share corners with twelve equivalent TmTm8In4 cuboctahedra, edges with eight equivalent InTm12 cuboctahedra, edges with sixteen equivalent TmTm8In4 cuboctahedra, faces with four equivalent InTm12 cuboctahedra, and faces with fourteen equivalent TmTm8In4 cuboctahedra. All Tm–Tm bond lengths are 3.39 Å. All Tm–In bond lengths are 3.39 Å. In is bonded to twelve equivalent Tm atoms to form InTm12 cuboctahedra that share corners with twelve equivalent InTm12 cuboctahedra, edges with twenty-four equivalent TmTm8In4 cuboctahedra, faces with six equivalent InTm12 cuboctahedra, and faces with twelve equivalent TmTm8In4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmAgGe by Materials Project

TmAgGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to six equivalent Ag and five Ge atoms. There are two shorter (3.15 Å) and four longer (3.33 Å) Tm–Ag bond lengths. There are one shorter (2.97 Å) and four longer (2.99 Å) Tm–Ge bond lengths. Ag is bonded in a 12-coordinate geometry to six equivalent Tm, two equivalent Ag, and four Ge atoms. Both Ag–Ag bond lengths are 3.11 Å. There are two shorter (2.71 Å) and two longer (2.75 Å) Ag–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent Ag atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdTm by Materials Project

TmNd crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tm is bonded to six equivalent Tm and six equivalent Nd atoms to form TmNd6Tm6 cuboctahedra that share corners with eighteen equivalent TmNd6Tm6 cuboctahedra, edges with six equivalent TmNd6Tm6 cuboctahedra, edges with twelve equivalent NdNd6Tm6 cuboctahedra, faces with eight equivalent TmNd6Tm6 cuboctahedra, and faces with twelve equivalent NdNd6Tm6 cuboctahedra. All Tm–Tm bond lengths are 3.62 Å. All Tm–Nd bond lengths are 3.59 Å. Nd is bonded to six equivalent Tm and six equivalent Nd atoms to form NdNd6Tm6 cuboctahedra that share corners with eighteen equivalent NdNd6Tm6 cuboctahedra, edges with six equivalent NdNd6Tm6 cuboctahedra, edges with twelve equivalent TmNd6Tm6 cuboctahedra, faces with eight equivalent NdNd6Tm6 cuboctahedra, and faces with twelve equivalent TmNd6Tm6 cuboctahedra. All Nd–Nd bond lengths are 3.62 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErTm3 by Materials Project

Tm3Er is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded to eight equivalent Tm and four equivalent Er atoms to form TmEr4Tm8 cuboctahedra that share corners with four equivalent ErTm12 cuboctahedra, corners with fourteen equivalent TmEr4Tm8 cuboctahedra, edges with six equivalent ErTm12 cuboctahedra, edges with twelve equivalent TmEr4Tm8 cuboctahedra, faces with four equivalent ErTm12 cuboctahedra, and faces with sixteen equivalent TmEr4Tm8 cuboctahedra. There are four shorter (3.45 Å) and four longer (3.55 Å) Tm–Tm bond lengths. There are two shorter (3.45 Å) and two longer (3.55 Å) Tm–Er bond lengths. Er is bonded to twelve equivalent Tm atoms to form ErTm12 cuboctahedra that share corners with six equivalent ErTm12 cuboctahedra, corners with twelve equivalent TmEr4Tm8 cuboctahedra, edges with eighteen equivalent TmEr4Tm8 cuboctahedra, faces with eight equivalent ErTm12 cuboctahedra, and faces with twelve equivalent TmEr4Tm8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3In by Materials Project

Tm3In is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded to eight equivalent Tm and four equivalent In atoms to form distorted TmTm8In4 cuboctahedra that share corners with four equivalent InTm12 cuboctahedra, corners with fourteen equivalent TmTm8In4 cuboctahedra, edges with six equivalent InTm12 cuboctahedra, edges with twelve equivalent TmTm8In4 cuboctahedra, faces with four equivalent InTm12 cuboctahedra, and faces with sixteen equivalent TmTm8In4 cuboctahedra. There are a spread of Tm–Tm bond distances ranging from 3.36–3.47 Å. There are two shorter (3.36 Å) and two longer (3.41 Å) Tm–In bond lengths. In is bonded to twelve equivalent Tm atoms to form InTm12 cuboctahedra that share corners with six equivalent InTm12 cuboctahedra, corners with twelve equivalent TmTm8In4 cuboctahedra, edges with eighteen equivalent TmTm8In4 cuboctahedra, faces with eight equivalent InTm12 cuboctahedra, and faces with twelve equivalent TmTm8In4 cuboctahedra.

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