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DOE OSTI2020

Materials Data on TbNiGe by Materials Project

TbNiGe crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six equivalent Ni and six equivalent Ge atoms. There are a spread of Tb–Ni bond distances ranging from 2.97–3.24 Å. There are a spread of Tb–Ge bond distances ranging from 3.00–3.21 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Tb, one Ni, and three equivalent Ge atoms. The Ni–Ni bond length is 2.72 Å. There are two shorter (2.42 Å) and one longer (2.64 Å) Ni–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Tb, three equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.77 Å.

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Materials Data on Tb3Ge13Os4 by Materials Project

Tb3Os4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to four equivalent Os and twelve equivalent Ge atoms. All Tb–Os bond lengths are 3.22 Å. There are eight shorter (3.20 Å) and four longer (3.25 Å) Tb–Ge bond lengths. Os is bonded in a 6-coordinate geometry to three equivalent Tb and six equivalent Ge atoms. All Os–Ge bond lengths are 2.50 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Tb, two equivalent Os, and two Ge atoms. There are one shorter (2.65 Å) and one longer (3.03 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

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Materials Data on Tb2B4O9 by Materials Project

Tb2B4O9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are five inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tb–O bond distances ranging from 2.31–2.80 Å. In the second Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.25–2.81 Å. In the third Tb3+ site, Tb3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tb–O bond distances ranging from 2.30–2.73 Å. In the fourth Tb3+ site, Tb3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tb–O bond distances ranging from 2.28–2.78 Å. In the fifth Tb3+ site, Tb3+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Tb–O bond distances ranging from 2.29–2.88 Å. There are ten inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.43–1.53 Å. In the second B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.52 Å. In the third B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.50 Å. In the fourth B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.40–1.59 Å. In the fifth B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.50 Å. In the sixth B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There is three shorter (1.49 Å) and one longer (1.52 Å) B–O bond length. In the seventh B3+ site, B3+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.43–1.51 Å. In the eighth B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.42–1.52 Å. In the ninth B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.50 Å. In the tenth B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.43–1.52 Å. There are twenty-three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Tb3+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Tb3+ and two B3+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Tb3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Tb3+ and two equivalent B3+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two Tb3+ and two B3+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Tb3+ and two B3+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to three Tb3+ and one B3+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Tb3+ and two B3+ atoms. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to three Tb3+ and one B3+ atom. In the tenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Tb3+ and two B3+ atoms. In the eleventh O2- site, O2- is bonded in a 2-coordinate geometry to one Tb3+ and two equivalent B3+ atoms. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to one Tb3+ and two B3+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted single-bond geometry to two Tb3+ and one B3+ atom. In the fourteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Tb3+ and two B3+ atoms. In the fifteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Tb3+ and two B3+ atoms. In the sixteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Tb3+ and two B3+ atoms. In the seventeenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Tb3+ and two B3+ atoms. In the eighteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Tb3+ and two B3+ atoms. In the nineteenth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Tb3+ and two B3+ atoms. In the twentieth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Tb3+ and two B3+ atoms. In the twenty-first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Tb3+ and two B3+ atoms. In the twenty-second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Tb3+ and two B3+ atoms. In the twenty-third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tb3+ and two equivalent B3+ atoms.

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Materials Data on TbCu4Ag by Materials Project

TbCu4Ag crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to four equivalent Ag and twelve equivalent Cu atoms. All Tb–Ag bond lengths are 3.10 Å. All Tb–Cu bond lengths are 2.97 Å. Ag is bonded in a 4-coordinate geometry to four equivalent Tb and twelve equivalent Cu atoms. All Ag–Cu bond lengths are 2.96 Å. Cu is bonded to three equivalent Tb, three equivalent Ag, and six equivalent Cu atoms to form a mixture of corner, edge, and face-sharing CuTb3Cu6Ag3 cuboctahedra. There are three shorter (2.50 Å) and three longer (2.55 Å) Cu–Cu bond lengths.

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Materials Data on TbGaAu by Materials Project

TbAuGa crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Ga atoms. There are a spread of Tb–Au bond distances ranging from 3.07–3.26 Å. There are a spread of Tb–Ga bond distances ranging from 3.14–3.31 Å. Au is bonded in a 2-coordinate geometry to six equivalent Tb, one Au, and three equivalent Ga atoms. The Au–Au bond length is 2.86 Å. There are two shorter (2.61 Å) and one longer (2.94 Å) Au–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Tb, three equivalent Au, and one Ga atom. The Ga–Ga bond length is 2.57 Å.

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Materials Data on Ba3Tb by Materials Project

Ba3Tb is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to eight Ba and four equivalent Tb atoms to form BaBa8Tb4 cuboctahedra that share corners with twelve equivalent BaBa8Tb4 cuboctahedra, edges with eight equivalent TbBa12 cuboctahedra, edges with sixteen BaBa8Tb4 cuboctahedra, faces with four equivalent TbBa12 cuboctahedra, and faces with fourteen BaBa8Tb4 cuboctahedra. There are four shorter (4.17 Å) and four longer (4.19 Å) Ba–Ba bond lengths. All Ba–Tb bond lengths are 4.19 Å. In the second Ba site, Ba is bonded to eight equivalent Ba and four equivalent Tb atoms to form BaBa8Tb4 cuboctahedra that share corners with four equivalent BaBa8Tb4 cuboctahedra, corners with eight equivalent TbBa12 cuboctahedra, edges with twenty-four BaBa8Tb4 cuboctahedra, faces with six equivalent TbBa12 cuboctahedra, and faces with twelve BaBa8Tb4 cuboctahedra. All Ba–Tb bond lengths are 4.17 Å. Tb is bonded to twelve Ba atoms to form TbBa12 cuboctahedra that share corners with four equivalent TbBa12 cuboctahedra, corners with eight equivalent BaBa8Tb4 cuboctahedra, edges with eight equivalent TbBa12 cuboctahedra, edges with sixteen equivalent BaBa8Tb4 cuboctahedra, faces with four equivalent TbBa12 cuboctahedra, and faces with fourteen BaBa8Tb4 cuboctahedra.

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Materials Data on TbSnGe by Materials Project

TbSnGe is Zirconium Disilicide-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 10-coordinate geometry to four equivalent Sn and six equivalent Ge atoms. There are two shorter (3.27 Å) and two longer (3.34 Å) Tb–Sn bond lengths. There are four shorter (3.04 Å) and two longer (3.23 Å) Tb–Ge bond lengths. Sn is bonded in a 8-coordinate geometry to four equivalent Tb and four equivalent Sn atoms. All Sn–Sn bond lengths are 2.97 Å. Ge is bonded in a 8-coordinate geometry to six equivalent Tb and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.69 Å.

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Materials Data on TbGePd2 by Materials Project

TbPd2Ge 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 Ge atoms. There are a spread of Tb–Pd bond distances ranging from 3.04–3.24 Å. There are a spread of Tb–Ge bond distances ranging from 3.02–3.09 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Tb and three equivalent Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.53–2.67 Å. Ge is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Pd atoms.

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Materials Data on Tb2CdCu2 by Materials Project

Tb2Cu2Cd 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 Cd atoms. There are two shorter (2.88 Å) and four longer (2.93 Å) Tb–Cu bond lengths. All Tb–Cd bond lengths are 3.36 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Tb, one Cu, and two equivalent Cd atoms. The Cu–Cu bond length is 2.53 Å. Both Cu–Cd bond lengths are 3.07 Å. Cd is bonded to eight equivalent Tb and four equivalent Cu atoms to form a mixture of face and corner-sharing CdTb8Cu4 cuboctahedra.

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Materials Data on TbMgCo4 by Materials Project

TbMgCo4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent Tb and twelve equivalent Co atoms. All Mg–Tb bond lengths are 3.05 Å. All Mg–Co bond lengths are 2.92 Å. Tb is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Co atoms. All Tb–Co bond lengths are 2.92 Å. Co is bonded to three equivalent Mg, three equivalent Tb, and six equivalent Co atoms to form a mixture of corner, edge, and face-sharing CoTb3Mg3Co6 cuboctahedra. There are three shorter (2.48 Å) and three longer (2.51 Å) Co–Co bond lengths.

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Materials Data on Tb2RuRh by Materials Project

Tb2RuRh 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 Rh atoms. All Tb–Ru bond lengths are 2.96 Å. All Tb–Rh bond lengths are 2.96 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Tb atoms. Rh is bonded in a body-centered cubic geometry to eight equivalent Tb atoms.

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Materials Data on Tb2CdNi2 by Materials Project

Tb2Ni2Cd crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Tb is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Cd atoms. There are four shorter (2.82 Å) and two longer (2.94 Å) Tb–Ni bond lengths. All Tb–Cd bond lengths are 3.31 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Tb, two equivalent Ni, and one Cd atom. Both Ni–Ni bond lengths are 2.38 Å. The Ni–Cd bond length is 2.86 Å. Cd is bonded in a distorted q6 geometry to eight equivalent Tb and two equivalent Ni atoms.

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Materials Data on Tb2ZnIr by Materials Project

Tb2IrZn 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 Ir and four equivalent Zn atoms. All Tb–Ir bond lengths are 3.03 Å. All Tb–Zn bond lengths are 3.03 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Tb atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Tb atoms.

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Materials Data on Tb2InAu2 by Materials Project

Tb2Au2In 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 In atoms. There are two shorter (2.95 Å) and four longer (3.05 Å) Tb–Au bond lengths. All Tb–In bond lengths are 3.52 Å. Au is bonded in a 9-coordinate geometry to six equivalent Tb, one Au, and two equivalent In atoms. The Au–Au bond length is 2.91 Å. Both Au–In bond lengths are 3.16 Å. In is bonded to eight equivalent Tb and four equivalent Au atoms to form a mixture of corner and face-sharing InTb8Au4 cuboctahedra.

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Materials Data on Tb6Zn23 by Materials Project

Tb6Zn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve Zn atoms. There are a spread of Tb–Zn bond distances ranging from 3.09–3.23 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Tb and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–2.83 Å. In the second Zn site, Zn is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Zn–Zn bond lengths are 2.72 Å. In the third Zn site, Zn is bonded to four equivalent Tb and eight Zn atoms to form a mixture of corner and face-sharing ZnTb4Zn8 cuboctahedra. All Zn–Zn bond lengths are 2.78 Å. In the fourth Zn site, Zn is bonded in a 10-coordinate geometry to three equivalent Tb and seven Zn atoms.

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Materials Data on TbNiSn4 by Materials Project

TbNiSn4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Tb is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Tb–Sn bond distances ranging from 3.22–3.47 Å. Ni is bonded in a distorted body-centered cubic geometry to eight Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.65–2.79 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Tb, two equivalent Ni, and five Sn atoms. There are one shorter (3.09 Å) and four longer (3.17 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Tb and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.01 Å. In the third Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Tb, two equivalent Ni, and four equivalent Sn atoms. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni atoms. In the fifth Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni and two equivalent Sn atoms.

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Materials Data on TbPrFe4 by Materials Project

TbPrFe4 is Cubic 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 four equivalent Pr and twelve equivalent Fe atoms. All Tb–Pr bond lengths are 3.21 Å. All Tb–Fe bond lengths are 3.07 Å. Pr is bonded in a 12-coordinate geometry to four equivalent Tb and twelve equivalent Fe atoms. All Pr–Fe bond lengths are 3.07 Å. Fe is bonded to three equivalent Tb, three equivalent Pr, and six equivalent Fe atoms to form a mixture of face, edge, and corner-sharing FeTb3Pr3Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.62 Å.

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Materials Data on TbNiAs by Materials Project

TbNiAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tb is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of edge and face-sharing TbNi6As6 cuboctahedra. All Tb–Ni bond lengths are 3.05 Å. All Tb–As bond lengths are 3.05 Å. Ni is bonded in a 3-coordinate geometry to six equivalent Tb and three equivalent As atoms. All Ni–As bond lengths are 2.34 Å. As is bonded in a 3-coordinate geometry to six equivalent Tb and three equivalent Ni atoms.

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