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DOE OSTI2020

Materials Data on Tb2NiAs2 by Materials Project

Tb2NiAs2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded in a 9-coordinate geometry to three equivalent Ni and six As atoms. All Tb–Ni bond lengths are 3.05 Å. There are three shorter (2.91 Å) and three longer (3.05 Å) Tb–As bond lengths. Ni is bonded in a 3-coordinate geometry to six equivalent Tb and three equivalent As atoms. All Ni–As bond lengths are 2.37 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 3-coordinate geometry to six equivalent Tb and three equivalent Ni atoms. In the second As site, As is bonded to six equivalent Tb atoms to form edge-sharing AsTb6 octahedra.

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Materials Data on TbMnGa by Materials Project

TbMnGa crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five Mn and six equivalent Ga atoms. There are four shorter (2.93 Å) and one longer (3.01 Å) Tb–Mn bond lengths. There are two shorter (3.09 Å) and four longer (3.27 Å) Tb–Ga bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Ga atoms. All Mn–Ga bond lengths are 2.75 Å. In the second Mn site, Mn is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Ga atoms. All Mn–Ga bond lengths are 2.70 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Tb and four Mn atoms.

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Materials Data on TbCdAu by Materials Project

TbAuCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five Au and six equivalent Cd atoms. There are four shorter (3.09 Å) and one longer (3.21 Å) Tb–Au bond lengths. There are two shorter (3.25 Å) and four longer (3.42 Å) Tb–Cd bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Cd atoms. All Au–Cd bond lengths are 2.85 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Cd atoms. All Au–Cd bond lengths are 2.95 Å. Cd is bonded in a 10-coordinate geometry to six equivalent Tb and four Au atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Tb2(Ga3Ir)3 by Materials Project

Tb2(IrGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Tb–Ga bond distances ranging from 3.01–3.17 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.58–2.66 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.57–2.65 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Tb, two equivalent Ir, and six Ga atoms. There are four shorter (2.75 Å) and two longer (2.76 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Tb, three Ir, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.78–2.96 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Tb, three Ir, and five Ga atoms. There are one shorter (2.81 Å) and two longer (2.82 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Tb, two equivalent Ir, and six Ga atoms. The Ga–Ga bond length is 2.72 Å.

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Materials Data on Tb2(Ga3Co)3 by Materials Project

Tb2(CoGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Tb–Ga bond distances ranging from 2.97–3.04 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.52–2.55 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.49–2.56 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Tb, three Co, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.73–2.82 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Tb, three Co, and five Ga atoms. There are one shorter (2.66 Å) and two longer (2.80 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Tb, two equivalent Co, and six Ga atoms. Both Ga–Ga bond lengths are 2.73 Å. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Tb, two equivalent Co, and six Ga atoms. The Ga–Ga bond length is 2.73 Å.

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Materials Data on TbZnPd by Materials Project

TbPdZn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five Pd and six equivalent Zn atoms. There are four shorter (2.94 Å) and one longer (3.00 Å) Tb–Pd bond lengths. There are two shorter (3.16 Å) and four longer (3.25 Å) Tb–Zn bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Zn atoms. All Pd–Zn bond lengths are 2.67 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Zn atoms. All Pd–Zn bond lengths are 2.81 Å. Zn is bonded in a 10-coordinate geometry to six equivalent Tb and four Pd atoms.

36 MATERIALS SCIENCE↗
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Materials Data on TbSnPt by Materials Project

TbPtSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five Pt and six equivalent Sn atoms. There are four shorter (3.05 Å) and one longer (3.06 Å) Tb–Pt bond lengths. There are two shorter (3.25 Å) and four longer (3.36 Å) Tb–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 Tb and six equivalent Sn atoms. All Pt–Sn bond lengths are 2.80 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Sn atoms. All Pt–Sn bond lengths are 2.85 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Tb and four Pt atoms.

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Materials Data on TbGa2Ag by Materials Project

TbAgGa2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five equivalent Ag and nine Ga atoms. There are a spread of Tb–Ag bond distances ranging from 3.22–3.44 Å. There are a spread of Tb–Ga bond distances ranging from 3.00–3.49 Å. Ag is bonded in a 12-coordinate geometry to five equivalent Tb, two equivalent Ag, and five Ga atoms. Both Ag–Ag bond lengths are 3.03 Å. There are a spread of Ag–Ga bond distances ranging from 2.68–2.88 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Tb, three equivalent Ag, and three equivalent Ga atoms. There are two shorter (2.65 Å) and one longer (2.74 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to five equivalent Tb, two equivalent Ag, and three equivalent Ga atoms.

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Materials Data on TbZr3 by Materials Project

TbZr3 is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tb is bonded to six equivalent Tb and six equivalent Zr atoms to form TbTb6Zr6 cuboctahedra that share corners with six equivalent TbTb6Zr6 cuboctahedra, corners with twelve equivalent ZrZr12 cuboctahedra, edges with six equivalent TbTb6Zr6 cuboctahedra, edges with twelve equivalent ZrTb3Zr9 cuboctahedra, faces with six equivalent TbTb6Zr6 cuboctahedra, and faces with fourteen ZrZr12 cuboctahedra. All Tb–Tb bond lengths are 3.31 Å. All Tb–Zr bond lengths are 3.36 Å. There are two inequivalent Zr sites. In the first Zr site, Zr is bonded to twelve Zr atoms to form ZrZr12 cuboctahedra that share corners with six equivalent ZrZr12 cuboctahedra, corners with twelve equivalent TbTb6Zr6 cuboctahedra, edges with eighteen ZrZr12 cuboctahedra, faces with two equivalent TbTb6Zr6 cuboctahedra, and faces with eighteen ZrZr12 cuboctahedra. There are six shorter (3.17 Å) and six longer (3.31 Å) Zr–Zr bond lengths. In the second Zr site, Zr is bonded to three equivalent Tb and nine Zr atoms to form ZrTb3Zr9 cuboctahedra that share corners with eighteen equivalent ZrTb3Zr9 cuboctahedra, edges with six equivalent TbTb6Zr6 cuboctahedra, edges with twelve ZrZr12 cuboctahedra, faces with six equivalent TbTb6Zr6 cuboctahedra, and faces with fourteen ZrZr12 cuboctahedra. All Zr–Zr bond lengths are 3.31 Å.

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Materials Data on TbFeSi2 by Materials Project

TbFeSi2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to three equivalent Fe and nine Si atoms. There are two shorter (3.10 Å) and one longer (3.17 Å) Tb–Fe bond lengths. There are a spread of Tb–Si bond distances ranging from 2.89–3.20 Å. Fe is bonded in a 5-coordinate geometry to three equivalent Tb and five Si atoms. There are a spread of Fe–Si bond distances ranging from 2.24–2.33 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Tb, one Fe, and two equivalent Si atoms. Both Si–Si bond lengths are 2.49 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to three equivalent Tb, four equivalent Fe, and two equivalent Si atoms. Both Si–Si bond lengths are 2.48 Å.

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Materials Data on TbAlNi4 by Materials Project

TbNi4Al crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to fourteen Ni and four equivalent Al atoms. There are a spread of Tb–Ni bond distances ranging from 2.80–3.16 Å. All Tb–Al bond lengths are 3.21 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Tb, four equivalent Ni, and two equivalent Al atoms. All Ni–Ni bond lengths are 2.46 Å. Both Ni–Al bond lengths are 2.44 Å. In the second Ni site, Ni is bonded to four equivalent Tb, six Ni, and two equivalent Al atoms to form a mixture of distorted face, edge, and corner-sharing NiTb4Al2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.51 Å. Both Ni–Al bond lengths are 2.45 Å. Al is bonded in a 12-coordinate geometry to four equivalent Tb and eight Ni atoms.

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Materials Data on Tb9Al5Se21 by Materials Project

Tb9Al5Se21 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are six inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.90–3.13 Å. In the second Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.88–3.55 Å. In the third Tb3+ site, Tb3+ is bonded to seven Se2- atoms to form distorted TbSe7 pentagonal bipyramids that share a cornercorner with one AlSe6 octahedra, corners with three TbSe7 pentagonal bipyramids, corners with two AlSe4 tetrahedra, an edgeedge with one AlSe6 octahedra, and an edgeedge with one AlSe4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of Tb–Se bond distances ranging from 2.90–3.18 Å. In the fourth Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.87–3.24 Å. In the fifth Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.89–3.53 Å. In the sixth Tb3+ site, Tb3+ is bonded to seven Se2- atoms to form distorted TbSe7 pentagonal bipyramids that share a cornercorner with one AlSe6 octahedra, corners with three TbSe7 pentagonal bipyramids, corners with two AlSe4 tetrahedra, an edgeedge with one AlSe6 octahedra, and an edgeedge with one AlSe4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of Tb–Se bond distances ranging from 2.91–3.08 Å. There are six inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four Se2- atoms to form AlSe4 tetrahedra that share corners with two TbSe7 pentagonal bipyramids and an edgeedge with one TbSe7 pentagonal bipyramid. There are a spread of Al–Se bond distances ranging from 2.38–2.40 Å. In the second Al3+ site, Al3+ is bonded to four Se2- atoms to form AlSe4 tetrahedra that share corners with two TbSe7 pentagonal bipyramids and an edgeedge with one TbSe7 pentagonal bipyramid. There are a spread of Al–Se bond distances ranging from 2.38–2.41 Å. In the third Al3+ site, Al3+ is bonded to six Se2- atoms to form AlSe6 octahedra that share corners with three equivalent TbSe7 pentagonal bipyramids and a faceface with one AlSe6 octahedra. There are three shorter (2.58 Å) and three longer (2.62 Å) Al–Se bond lengths. In the fourth Al3+ site, Al3+ is bonded to six Se2- atoms to form distorted AlSe6 octahedra that share edges with three equivalent TbSe7 pentagonal bipyramids and a faceface with one AlSe6 octahedra. There are three shorter (2.46 Å) and three longer (2.81 Å) Al–Se bond lengths. In the fifth Al3+ site, Al3+ is bonded to six Se2- atoms to form distorted AlSe6 octahedra that share edges with three equivalent TbSe7 pentagonal bipyramids and a faceface with one AlSe6 octahedra. There are three shorter (2.45 Å) and three longer (2.84 Å) Al–Se bond lengths. In the sixth Al3+ site, Al3+ is bonded to six Se2- atoms to form AlSe6 octahedra that share corners with three equivalent TbSe7 pentagonal bipyramids and a faceface with one AlSe6 octahedra. There are three shorter (2.57 Å) and three longer (2.62 Å) Al–Se bond lengths. There are fourteen inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three Tb3+ and one Al3+ atom to form distorted SeTb3Al tetrahedra that share corners with three SeTb3Al2 square pyramids and corners with three SeTb3Al trigonal pyramids. In the second Se2- site, Se2- is bonded to three Tb3+ and one Al3+ atom to form distorted SeTb3Al tetrahedra that share corners with three SeTb3Al2 square pyramids and corners with three SeTb3Al trigonal pyramids. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to three Tb3+ and one Al3+ atom. In the fourth Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three Tb3+ and one Al3+ atom. In the fifth Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three Tb3+ and one Al3+ atom. In the sixth Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three Tb3+ and one Al3+ atom. In the seventh Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three Tb3+ and one Al3+ atom. In the eighth Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three Tb3+ and one Al3+ atom. In the ninth Se2- site, Se2- is bonded in a 4-coordinate geometry to four Tb3+ and one Al3+ atom. In the tenth Se2- site, Se2- is bonded to three Tb3+ and two Al3+ atoms to form distorted SeTb3Al2 square pyramids that share corners with three SeTb3Al tetrahedra, a cornercorner with one SeTb3Al trigonal pyramid, edges with two equivalent SeTb3Al trigonal pyramids, and faces with two equivalent SeTb3Al2 square pyramids. In the eleventh Se2- site, Se2- is bonded to three Tb3+ and one Al3+ atom to form distorted SeTb3Al trigonal pyramids that share a cornercorner with one SeTb3Al2 square pyramid, corners with three SeTb3Al tetrahedra, edges with two equivalent SeTb3Al2 square pyramids, and edges with two equivalent SeTb3Al trigonal pyramids. In the twelfth Se2- site, Se2- is bonded to three Tb3+ and two Al3+ atoms to form distorted SeTb3Al2 square pyramids that share corners with three SeTb3Al tetrahedra, a cornercorner with one SeTb3Al trigonal pyramid, edges with two equivalent SeTb3Al trigonal pyramids, and faces with two equivalent SeTb3Al2 square pyramids. In the thirteenth Se2- site, Se2- is bonded to three Tb3+ and one Al3+ atom to form distorted SeTb3Al trigonal pyramids that share a cornercorner with one SeTb3Al2 square pyramid, corners with three SeTb3Al tetrahedra, edges with two equivalent SeTb3Al2 square pyramids, and edges with two equivalent SeTb3Al trigonal pyramids. In the fourteenth Se2- site, Se2- is bonded in a 4-coordinate geometry to four Tb3+ and one Al3+ atom.

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Materials Data on Tb2(Ga3Rh)3 by Materials Project

Tb2(RhGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Tb–Ga bond distances ranging from 3.03–3.14 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.58–2.64 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.57–2.63 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Tb, two equivalent Rh, and six Ga atoms. There are four shorter (2.76 Å) and two longer (2.77 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Tb, three Rh, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.78–2.93 Å. In the third Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent Tb, three Rh, and five Ga atoms. There are one shorter (2.77 Å) and two longer (2.83 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Tb, two equivalent Rh, and six Ga atoms. The Ga–Ga bond length is 2.74 Å.

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Materials Data on TbAlCu by Materials Project

TbCuAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 5-coordinate geometry to five Cu and six equivalent Al atoms. There are one shorter (2.91 Å) and four longer (2.93 Å) Tb–Cu bond lengths. There are two shorter (3.20 Å) and four longer (3.24 Å) Tb–Al bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted q6 geometry to three equivalent Tb and six equivalent Al atoms. All Cu–Al bond lengths are 2.61 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Al atoms. All Cu–Al bond lengths are 2.76 Å. Al is bonded in a 12-coordinate geometry to six equivalent Tb, four Cu, and two equivalent Al atoms. Both Al–Al bond lengths are 2.84 Å.

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Materials Data on TbCo2Ni3 by Materials Project

TbCo2Ni3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to eight equivalent Co and ten Ni atoms. All Tb–Co bond lengths are 3.16 Å. There are a spread of Tb–Ni bond distances ranging from 2.79–3.10 Å. Co is bonded to four equivalent Tb, two equivalent Co, and six Ni atoms to form CoTb4Co2Ni6 cuboctahedra that share corners with four equivalent NiTb4Co4Ni4 cuboctahedra, corners with twelve equivalent CoTb4Co2Ni6 cuboctahedra, edges with four equivalent NiTb4Co4Ni4 cuboctahedra, edges with six equivalent CoTb4Co2Ni6 cuboctahedra, faces with four equivalent NiTb4Co4Ni4 cuboctahedra, and faces with six equivalent CoTb4Co2Ni6 cuboctahedra. Both Co–Co bond lengths are 2.38 Å. There are four shorter (2.42 Å) and two longer (2.46 Å) Co–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Tb, four equivalent Co, and four equivalent Ni atoms to form NiTb4Co4Ni4 cuboctahedra that share corners with eight equivalent CoTb4Co2Ni6 cuboctahedra, corners with eight equivalent NiTb4Co4Ni4 cuboctahedra, edges with two equivalent NiTb4Co4Ni4 cuboctahedra, edges with eight equivalent CoTb4Co2Ni6 cuboctahedra, faces with two equivalent NiTb4Co4Ni4 cuboctahedra, and faces with eight equivalent CoTb4Co2Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.46 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Tb, four equivalent Co, and two equivalent Ni atoms.

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Materials Data on Tb3Mg by Materials Project

MgTb3 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 Tb atoms to form MgTb12 cuboctahedra that share corners with six equivalent MgTb12 cuboctahedra, corners with twelve equivalent TbTb8Mg4 cuboctahedra, edges with eighteen equivalent TbTb8Mg4 cuboctahedra, faces with eight equivalent MgTb12 cuboctahedra, and faces with twelve equivalent TbTb8Mg4 cuboctahedra. There are six shorter (3.41 Å) and six longer (3.52 Å) Mg–Tb bond lengths. Tb is bonded to four equivalent Mg and eight equivalent Tb atoms to form distorted TbTb8Mg4 cuboctahedra that share corners with four equivalent MgTb12 cuboctahedra, corners with fourteen equivalent TbTb8Mg4 cuboctahedra, edges with six equivalent MgTb12 cuboctahedra, edges with twelve equivalent TbTb8Mg4 cuboctahedra, faces with four equivalent MgTb12 cuboctahedra, and faces with sixteen equivalent TbTb8Mg4 cuboctahedra. There are a spread of Tb–Tb bond distances ranging from 3.44–3.61 Å.

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Materials Data on TbHf by Materials Project

TbHf crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tb is bonded to six equivalent Tb and six equivalent Hf atoms to form TbTb6Hf6 cuboctahedra that share corners with eighteen equivalent TbTb6Hf6 cuboctahedra, edges with six equivalent TbTb6Hf6 cuboctahedra, edges with twelve equivalent HfTb6Hf6 cuboctahedra, faces with eight equivalent TbTb6Hf6 cuboctahedra, and faces with twelve equivalent HfTb6Hf6 cuboctahedra. All Tb–Tb bond lengths are 3.38 Å. All Tb–Hf bond lengths are 3.32 Å. Hf is bonded to six equivalent Tb and six equivalent Hf atoms to form HfTb6Hf6 cuboctahedra that share corners with eighteen equivalent HfTb6Hf6 cuboctahedra, edges with six equivalent HfTb6Hf6 cuboctahedra, edges with twelve equivalent TbTb6Hf6 cuboctahedra, faces with eight equivalent HfTb6Hf6 cuboctahedra, and faces with twelve equivalent TbTb6Hf6 cuboctahedra. All Hf–Hf bond lengths are 3.38 Å.

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Materials Data on TbSiNi4 by Materials Project

TbNi4Si is Frank-Kasper $\mu$ Phase-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to fourteen Ni and four equivalent Si atoms. There are a spread of Tb–Ni bond distances ranging from 2.80–3.11 Å. All Tb–Si bond lengths are 3.22 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Tb, five Ni, and two equivalent Si atoms. There are four shorter (2.47 Å) and one longer (2.58 Å) Ni–Ni bond lengths. Both Ni–Si bond lengths are 2.36 Å. In the second Ni site, Ni is bonded to four equivalent Tb, six Ni, and two equivalent Si atoms to form NiTb4Si2Ni6 cuboctahedra that share corners with four equivalent SiTb4Ni8 cuboctahedra, corners with twelve equivalent NiTb4Si2Ni6 cuboctahedra, edges with four equivalent SiTb4Ni8 cuboctahedra, edges with six equivalent NiTb4Si2Ni6 cuboctahedra, faces with four equivalent SiTb4Ni8 cuboctahedra, and faces with six equivalent NiTb4Si2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.54 Å. Both Ni–Si bond lengths are 2.41 Å. Si is bonded to four equivalent Tb and eight Ni atoms to form distorted SiTb4Ni8 cuboctahedra that share corners with eight equivalent NiTb4Si2Ni6 cuboctahedra, corners with eight equivalent SiTb4Ni8 cuboctahedra, edges with two equivalent SiTb4Ni8 cuboctahedra, edges with eight equivalent NiTb4Si2Ni6 cuboctahedra, faces with two equivalent SiTb4Ni8 cuboctahedra, and faces with eight equivalent NiTb4Si2Ni6 cuboctahedra.

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