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DOE OSTI2020

Materials Data on Tb3Pd4 by Materials Project

Tb3Pd4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Tb is bonded in a 9-coordinate geometry to nine Pd atoms. There are a spread of Tb–Pd bond distances ranging from 2.88–3.31 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 6-coordinate geometry to six equivalent Tb atoms. In the second Pd site, Pd is bonded in a distorted octahedral geometry to six equivalent Tb atoms. In the third Pd site, Pd is bonded in a 10-coordinate geometry to seven equivalent Tb and three equivalent Pd atoms. There are one shorter (2.89 Å) and two longer (2.99 Å) Pd–Pd bond lengths.

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Materials Data on TbCu4Au by Materials Project

TbAuCu4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tb is bonded in a 4-coordinate geometry to four equivalent Au and twelve equivalent Cu atoms. All Tb–Au bond lengths are 3.09 Å. All Tb–Cu bond lengths are 2.96 Å. Au is bonded in a 4-coordinate geometry to four equivalent Tb and twelve equivalent Cu atoms. All Au–Cu bond lengths are 2.95 Å. Cu is bonded to three equivalent Tb, three equivalent Au, and six equivalent Cu atoms to form a mixture of face, edge, and corner-sharing CuTb3Cu6Au3 cuboctahedra. There are three shorter (2.50 Å) and three longer (2.54 Å) Cu–Cu bond lengths.

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Materials Data on Tb3Co4Sn13 by Materials Project

Tb3Co4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to four equivalent Co and twelve equivalent Sn atoms. All Tb–Co bond lengths are 3.38 Å. There are four shorter (3.32 Å) and eight longer (3.39 Å) Tb–Sn bond lengths. Co is bonded in a 6-coordinate geometry to three equivalent Tb and six equivalent Sn atoms. All Co–Sn bond lengths are 2.60 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three equivalent Tb, two equivalent Co, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.00–3.27 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

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Materials Data on Tb2MgCu2 by Materials Project

MgTb2Cu2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded to eight equivalent Tb and four equivalent Cu atoms to form a mixture of distorted face and corner-sharing MgTb8Cu4 cuboctahedra. All Mg–Tb bond lengths are 3.40 Å. All Mg–Cu bond lengths are 3.10 Å. Tb is bonded in a 6-coordinate geometry to four equivalent Mg and six equivalent Cu atoms. There are two shorter (2.90 Å) and four longer (2.96 Å) Tb–Cu bond lengths. Cu is bonded in a 9-coordinate geometry to two equivalent Mg, six equivalent Tb, and one Cu atom. The Cu–Cu bond length is 2.60 Å.

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Materials Data on TbU3(CoGe)8 by Materials Project

U3Tb(CoGe)8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 8-coordinate geometry to eight Co and eight Ge atoms. All U–Co bond lengths are 3.16 Å. There are four shorter (3.10 Å) and four longer (3.11 Å) U–Ge bond lengths. In the second U site, U is bonded in a 8-coordinate geometry to eight equivalent Co and eight equivalent Ge atoms. All U–Co bond lengths are 3.18 Å. All U–Ge bond lengths are 3.11 Å. Tb is bonded in a 8-coordinate geometry to eight equivalent Co and eight equivalent Ge atoms. All Tb–Co bond lengths are 3.21 Å. All Tb–Ge bond lengths are 3.11 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to two equivalent U, two equivalent Tb, and four Ge atoms to form a mixture of distorted edge, face, and corner-sharing CoTb2U2Ge4 tetrahedra. There are two shorter (2.32 Å) and two longer (2.35 Å) Co–Ge bond lengths. In the second Co site, Co is bonded to four U and four Ge atoms to form distorted CoU4Ge4 tetrahedra that share corners with twelve CoTb2U2Ge4 tetrahedra, edges with six CoTb2U2Ge4 tetrahedra, and faces with four equivalent CoU4Ge4 tetrahedra. All Co–Ge bond lengths are 2.34 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Tb, four equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.51 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.51 Å. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four equivalent Co, and one Ge atom.

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Materials Data on Tb3(GaNi3)2 by Materials Project

Tb3(Ni3Ga)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Ga atoms. There are four shorter (2.78 Å) and four longer (3.05 Å) Tb–Ni bond lengths. All Tb–Ga bond lengths are 3.18 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Tb, six equivalent Ni, and two equivalent Ga atoms. There are four shorter (2.58 Å) and two longer (2.90 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.49 Å. Ga is bonded to six equivalent Tb and six equivalent Ni atoms to form a mixture of face and corner-sharing GaTb6Ni6 cuboctahedra.

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Materials Data on Tb2SnAu2 by Materials Project

Tb2Au2Sn crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (2.96 Å) and four longer (3.07 Å) Tb–Au bond lengths. All Tb–Sn bond lengths are 3.50 Å. Au is bonded in a 9-coordinate geometry to six equivalent Tb, one Au, and two equivalent Sn atoms. The Au–Au bond length is 2.83 Å. Both Au–Sn bond lengths are 3.12 Å. Sn is bonded to eight equivalent Tb and four equivalent Au atoms to form a mixture of face and corner-sharing SnTb8Au4 cuboctahedra.

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Materials Data on TbCdNi4 by Materials Project

TbNi4Cd is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent Cd atoms. All Tb–Ni bond lengths are 2.92 Å. All Tb–Cd bond lengths are 3.05 Å. Ni is bonded to three equivalent Tb, six equivalent Ni, and three equivalent Cd atoms to form a mixture of corner, edge, and face-sharing NiTb3Cd3Ni6 cuboctahedra. There are three shorter (2.47 Å) and three longer (2.51 Å) Ni–Ni bond lengths. All Ni–Cd bond lengths are 2.91 Å. Cd is bonded in a 4-coordinate geometry to four equivalent Tb and twelve equivalent Ni atoms.

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Materials Data on KTb2F7 by Materials Project

KTb2F7 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.68–2.95 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of K–F bond distances ranging from 2.69–2.78 Å. In the third K1+ site, K1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of K–F bond distances ranging from 2.70–2.77 Å. In the fourth K1+ site, K1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.70–2.96 Å. There are five inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Tb–F bond distances ranging from 2.23–2.46 Å. In the second Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Tb–F bond distances ranging from 2.23–2.43 Å. In the third Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Tb–F bond distances ranging from 2.23–2.40 Å. In the fourth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Tb–F bond distances ranging from 2.24–2.46 Å. In the fifth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Tb–F bond distances ranging from 2.21–2.44 Å. There are nineteen inequivalent F1- sites. In the first F1- site, F1- is bonded to one K1+ and three Tb3+ atoms to form a mixture of distorted edge and corner-sharing FKTb3 tetrahedra. In the second F1- site, F1- is bonded to two K1+ and two Tb3+ atoms to form distorted FK2Tb2 tetrahedra that share corners with ten FK2Tb2 tetrahedra and edges with four FKTb3 tetrahedra. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and two equivalent Tb3+ atoms. In the fourth F1- site, F1- is bonded to two K1+ and two equivalent Tb3+ atoms to form distorted FK2Tb2 tetrahedra that share corners with seven FKTb3 tetrahedra and edges with four FK2Tb2 tetrahedra. In the fifth F1- site, F1- is bonded to two K1+ and two equivalent Tb3+ atoms to form distorted FK2Tb2 tetrahedra that share corners with seven FKTb3 tetrahedra and edges with six FK2Tb2 tetrahedra. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Tb3+ atoms. In the seventh F1- site, F1- is bonded to two K1+ and two equivalent Tb3+ atoms to form distorted FK2Tb2 tetrahedra that share corners with seven FKTb3 tetrahedra and edges with four FK2Tb2 tetrahedra. In the eighth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Tb3+ atoms. In the ninth F1- site, F1- is bonded to one K1+ and three Tb3+ atoms to form a mixture of distorted edge and corner-sharing FKTb3 tetrahedra. In the tenth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Tb3+ atoms. In the eleventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and two equivalent Tb3+ atoms. In the twelfth F1- site, F1- is bonded in a 4-coordinate geometry to one K1+ and three Tb3+ atoms. In the thirteenth F1- site, F1- is bonded in a 2-coordinate geometry to one K1+ and two Tb3+ atoms. In the fourteenth F1- site, F1- is bonded in a 2-coordinate geometry to one K1+ and two Tb3+ atoms. In the fifteenth F1- site, F1- is bonded to one K1+ and three Tb3+ atoms to form FKTb3 tetrahedra that share corners with six FK2Tb2 tetrahedra and edges with three FKTb3 tetrahedra. In the sixteenth F1- site, F1- is bonded to two K1+ and two equivalent Tb3+ atoms to form a mixture of distorted edge and corner-sharing FK2Tb2 tetrahedra. In the seventeenth F1- site, F1- is bonded in a 4-coordinate geometry to one K1+ and three Tb3+ atoms. In the eighteenth F1- site, F1- is bonded to two K1+ and two Tb3+ atoms to form distorted FK2Tb2 tetrahedra that share corners with ten FKTb3 tetrahedra and edges with four FK2Tb2 tetrahedra. In the nineteenth F1- site, F1- is bonded to one K1+ and three Tb3+ atoms to form a mixture of distorted edge and corner-sharing FKTb3 tetrahedra.

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Materials Data on TbGaPd2 by Materials Project

TbPd2Ga is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Ga atoms. There are a spread of Tb–Pd bond distances ranging from 3.05–3.28 Å. There are a spread of Tb–Ga bond distances ranging from 3.04–3.09 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Tb and three equivalent Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.54–2.65 Å. Ga is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Pd atoms.

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Materials Data on Tb2PdRu by Materials Project

Tb2RuPd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Pd atoms. All Tb–Ru bond lengths are 3.00 Å. All Tb–Pd bond lengths are 3.00 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Tb atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Tb atoms.

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Materials Data on Tb2InHg by Materials Project

Tb2HgIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent In atoms. All Tb–Hg bond lengths are 3.26 Å. All Tb–In bond lengths are 3.26 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Tb atoms. In is bonded in a body-centered cubic geometry to eight equivalent Tb atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Tb2InCu2 by Materials Project

Tb2Cu2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to six equivalent Cu and four equivalent In atoms. There are two shorter (2.89 Å) and four longer (2.92 Å) Tb–Cu bond lengths. All Tb–In bond lengths are 3.36 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Tb, one Cu, and two equivalent In atoms. The Cu–Cu bond length is 2.57 Å. Both Cu–In bond lengths are 3.05 Å. In is bonded to eight equivalent Tb and four equivalent Cu atoms to form a mixture of face and corner-sharing InTb8Cu4 cuboctahedra.

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DOE OSTI2020

Materials Data on TbGaFe by Materials Project

TbFeGa is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded to six equivalent Fe and six equivalent Ga atoms to form a mixture of face and edge-sharing TbGa6Fe6 cuboctahedra. All Tb–Fe bond lengths are 3.05 Å. All Tb–Ga bond lengths are 3.05 Å. Fe is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Ga atoms. All Fe–Ga bond lengths are 2.43 Å. Ga is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbMnFe by Materials Project

TbMnFe crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six equivalent Mn and six equivalent Fe atoms. There are four shorter (3.00 Å) and two longer (3.03 Å) Tb–Mn bond lengths. There are two shorter (3.00 Å) and four longer (3.04 Å) Tb–Fe bond lengths. Mn is bonded to six equivalent Tb, two equivalent Mn, and four equivalent Fe atoms to form MnTb6Mn2Fe4 cuboctahedra that share corners with eight equivalent FeTb6Mn4Fe2 cuboctahedra, corners with ten equivalent MnTb6Mn2Fe4 cuboctahedra, edges with six equivalent MnTb6Mn2Fe4 cuboctahedra, faces with six equivalent MnTb6Mn2Fe4 cuboctahedra, and faces with twelve equivalent FeTb6Mn4Fe2 cuboctahedra. Both Mn–Mn bond lengths are 2.61 Å. All Mn–Fe bond lengths are 2.57 Å. Fe is bonded to six equivalent Tb, four equivalent Mn, and two equivalent Fe atoms to form FeTb6Mn4Fe2 cuboctahedra that share corners with eight equivalent MnTb6Mn2Fe4 cuboctahedra, corners with ten equivalent FeTb6Mn4Fe2 cuboctahedra, edges with six equivalent FeTb6Mn4Fe2 cuboctahedra, faces with six equivalent FeTb6Mn4Fe2 cuboctahedra, and faces with twelve equivalent MnTb6Mn2Fe4 cuboctahedra. Both Fe–Fe bond lengths are 2.54 Å.

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Materials Data on Tb3Pt4 by Materials Project

Pt4Tb3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Tb is bonded in a 9-coordinate geometry to nine Pt atoms. There are a spread of Tb–Pt bond distances ranging from 2.88–3.30 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to six equivalent Tb atoms. In the second Pt site, Pt is bonded in a distorted octahedral geometry to six equivalent Tb atoms. In the third Pt site, Pt is bonded in a 10-coordinate geometry to seven equivalent Tb and three equivalent Pt atoms. There are one shorter (2.89 Å) and two longer (2.98 Å) Pt–Pt bond lengths.

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Materials Data on TbGaCo by Materials Project

TbCoGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five equivalent Co and six equivalent Ga atoms. There are a spread of Tb–Co bond distances ranging from 2.87–3.10 Å. There are a spread of Tb–Ga bond distances ranging from 3.02–3.11 Å. Co is bonded in a 9-coordinate geometry to five equivalent Tb and four equivalent Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.51–2.59 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Co atoms.

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Materials Data on TbSiPd2 by Materials Project

TbPd2Si is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to ten equivalent Pd and three equivalent Si atoms. There are a spread of Tb–Pd bond distances ranging from 2.98–3.53 Å. There are a spread of Tb–Si bond distances ranging from 2.99–3.03 Å. Pd is bonded in a 12-coordinate geometry to five equivalent Tb, four equivalent Pd, and three equivalent Si atoms. There are a spread of Pd–Pd bond distances ranging from 2.78–3.07 Å. There are a spread of Pd–Si bond distances ranging from 2.50–2.63 Å. Si is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Pd atoms.

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