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DOE OSTI2020

Materials Data on TbGePd by Materials Project

TbPdGe crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six equivalent Pd and six equivalent Ge atoms. There are a spread of Tb–Pd bond distances ranging from 3.06–3.20 Å. There are a spread of Tb–Ge bond distances ranging from 3.08–3.24 Å. Pd is bonded in a 10-coordinate geometry to six equivalent Tb, one Pd, and three equivalent Ge atoms. The Pd–Pd bond length is 2.86 Å. There are two shorter (2.53 Å) and one longer (2.82 Å) Pd–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Tb, three equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.58 Å.

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Materials Data on TbAgSn by Materials Project

TbAgSn crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Sn atoms. There are three shorter (3.18 Å) and three longer (3.39 Å) Tb–Ag bond lengths. There are three shorter (3.22 Å) and three longer (3.73 Å) Tb–Sn bond lengths. Ag is bonded in a 10-coordinate geometry to six equivalent Tb, three equivalent Ag, and one Sn atom. All Ag–Ag bond lengths are 2.83 Å. The Ag–Sn bond length is 3.10 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Tb, one Ag, and three equivalent Sn atoms. All Sn–Sn bond lengths are 2.93 Å.

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Materials Data on Tb2InNi2 by Materials Project

Tb2Ni2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are two shorter (2.84 Å) and four longer (2.87 Å) Tb–Ni bond lengths. All Tb–In bond lengths are 3.29 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Tb, one Ni, and two equivalent In atoms. The Ni–Ni bond length is 2.47 Å. Both Ni–In bond lengths are 2.97 Å. In is bonded to eight equivalent Tb and four equivalent Ni atoms to form a mixture of corner and face-sharing InTb8Ni4 cuboctahedra.

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Materials Data on TbRh2Pb by Materials Project

TbRh2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a distorted body-centered cubic geometry to eight equivalent Rh and six equivalent Pb atoms. All Tb–Rh bond lengths are 2.93 Å. All Tb–Pb bond lengths are 3.38 Å. Rh is bonded in a distorted body-centered cubic geometry to four equivalent Tb and four equivalent Pb atoms. All Rh–Pb bond lengths are 2.93 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Tb and eight equivalent Rh atoms.

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Materials Data on TbHo3 by Materials Project

Ho3Tb is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to eight Ho and four equivalent Tb atoms to form HoTb4Ho8 cuboctahedra that share corners with twelve equivalent HoTb4Ho8 cuboctahedra, edges with eight equivalent TbHo12 cuboctahedra, edges with sixteen HoTb4Ho8 cuboctahedra, faces with four equivalent TbHo12 cuboctahedra, and faces with fourteen HoTb4Ho8 cuboctahedra. All Ho–Ho bond lengths are 3.53 Å. All Ho–Tb bond lengths are 3.53 Å. In the second Ho site, Ho is bonded to eight equivalent Ho and four equivalent Tb atoms to form HoTb4Ho8 cuboctahedra that share corners with four equivalent HoTb4Ho8 cuboctahedra, corners with eight equivalent TbHo12 cuboctahedra, edges with twenty-four HoTb4Ho8 cuboctahedra, faces with six equivalent TbHo12 cuboctahedra, and faces with twelve HoTb4Ho8 cuboctahedra. All Ho–Tb bond lengths are 3.53 Å. Tb is bonded to twelve Ho atoms to form TbHo12 cuboctahedra that share corners with four equivalent TbHo12 cuboctahedra, corners with eight equivalent HoTb4Ho8 cuboctahedra, edges with eight equivalent TbHo12 cuboctahedra, edges with sixteen equivalent HoTb4Ho8 cuboctahedra, faces with four equivalent TbHo12 cuboctahedra, and faces with fourteen HoTb4Ho8 cuboctahedra.

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Materials Data on Tb6Fe23 by Materials Project

Tb6Fe23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Tb–Fe bond distances ranging from 2.91–3.06 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted q6 geometry to three equivalent Tb and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.47–2.62 Å. In the second Fe site, Fe is bonded in a body-centered cubic geometry to eight equivalent Fe atoms. All Fe–Fe bond lengths are 2.54 Å. In the third Fe site, Fe is bonded to four equivalent Tb and eight Fe atoms to form a mixture of corner and face-sharing FeTb4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.64 Å. In the fourth Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent Tb and ten Fe atoms. All Fe–Fe bond lengths are 2.94 Å.

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Materials Data on Tb2ZrAl9 by Materials Project

Tb2ZrAl9 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tb is bonded to twelve Al atoms to form TbAl12 cuboctahedra that share corners with four equivalent ZrAl12 cuboctahedra, corners with eight equivalent TbAl12 cuboctahedra, edges with twenty AlZr4Al8 cuboctahedra, a faceface with one ZrAl12 cuboctahedra, faces with five equivalent TbAl12 cuboctahedra, and faces with eight AlTb2Zr2Al8 cuboctahedra. There are a spread of Tb–Al bond distances ranging from 2.99–3.02 Å. Zr is bonded to twelve Al atoms to form ZrAl12 cuboctahedra that share corners with four equivalent ZrAl12 cuboctahedra, corners with eight equivalent TbAl12 cuboctahedra, edges with sixteen equivalent AlTb2Zr2Al8 cuboctahedra, faces with two equivalent TbAl12 cuboctahedra, faces with four equivalent ZrAl12 cuboctahedra, and faces with twelve AlZr4Al8 cuboctahedra. There are eight shorter (2.92 Å) and four longer (2.99 Å) Zr–Al bond lengths. There are four inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Zr and eight equivalent Al atoms to form AlZr4Al8 cuboctahedra that share corners with four equivalent AlZr4Al8 cuboctahedra, edges with eight equivalent TbAl12 cuboctahedra, edges with sixteen equivalent AlTb2Zr2Al8 cuboctahedra, faces with four equivalent ZrAl12 cuboctahedra, and faces with twelve AlZr4Al8 cuboctahedra. All Al–Al bond lengths are 2.92 Å. In the second Al site, Al is bonded in a distorted rectangular see-saw-like geometry to four equivalent Tb and eight Al atoms. There are four shorter (2.99 Å) and four longer (3.04 Å) Al–Al bond lengths. In the third Al site, Al is bonded to two equivalent Tb, two equivalent Zr, and eight Al atoms to form distorted AlTb2Zr2Al8 cuboctahedra that share corners with twelve AlTb2Zr2Al8 cuboctahedra, edges with four equivalent TbAl12 cuboctahedra, edges with four equivalent ZrAl12 cuboctahedra, edges with twelve AlZr4Al8 cuboctahedra, faces with two equivalent TbAl12 cuboctahedra, faces with two equivalent ZrAl12 cuboctahedra, and faces with twelve AlZr4Al8 cuboctahedra. All Al–Al bond lengths are 2.99 Å. In the fourth Al site, Al is bonded to four equivalent Tb and eight Al atoms to form distorted AlTb4Al8 cuboctahedra that share corners with twelve AlTb2Zr2Al8 cuboctahedra, edges with eight equivalent TbAl12 cuboctahedra, edges with eight equivalent AlTb2Zr2Al8 cuboctahedra, faces with four equivalent TbAl12 cuboctahedra, and faces with ten AlTb2Zr2Al8 cuboctahedra. All Al–Al bond lengths are 2.99 Å.

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Materials Data on TbHoAl4 by Materials Project

HoTbAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to four equivalent Tb and twelve equivalent Al atoms. All Ho–Tb bond lengths are 3.41 Å. All Ho–Al bond lengths are 3.26 Å. Tb is bonded in a 12-coordinate geometry to four equivalent Ho and twelve equivalent Al atoms. All Tb–Al bond lengths are 3.26 Å. Al is bonded to three equivalent Ho, three equivalent Tb, and six equivalent Al atoms to form a mixture of edge, face, and corner-sharing AlTb3Ho3Al6 cuboctahedra. All Al–Al bond lengths are 2.78 Å.

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Materials Data on Rb3Tb by Materials Project

Rb3Tb is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to eight Rb and four equivalent Tb atoms to form RbRb8Tb4 cuboctahedra that share corners with twelve equivalent RbRb8Tb4 cuboctahedra, edges with eight equivalent TbRb12 cuboctahedra, edges with sixteen RbRb8Tb4 cuboctahedra, faces with four equivalent TbRb12 cuboctahedra, and faces with fourteen RbRb8Tb4 cuboctahedra. There are four shorter (4.41 Å) and four longer (4.62 Å) Rb–Rb bond lengths. All Rb–Tb bond lengths are 4.62 Å. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent Tb atoms to form distorted RbRb8Tb4 cuboctahedra that share corners with four equivalent RbRb8Tb4 cuboctahedra, corners with eight equivalent TbRb12 cuboctahedra, edges with twenty-four RbRb8Tb4 cuboctahedra, faces with six equivalent TbRb12 cuboctahedra, and faces with twelve RbRb8Tb4 cuboctahedra. All Rb–Tb bond lengths are 4.41 Å. Tb is bonded to twelve Rb atoms to form TbRb12 cuboctahedra that share corners with four equivalent TbRb12 cuboctahedra, corners with eight equivalent RbRb8Tb4 cuboctahedra, edges with eight equivalent TbRb12 cuboctahedra, edges with sixteen equivalent RbRb8Tb4 cuboctahedra, faces with four equivalent TbRb12 cuboctahedra, and faces with fourteen RbRb8Tb4 cuboctahedra.

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Materials Data on TbCu4Pd by Materials Project

TbPdCu4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to four equivalent Pd and twelve equivalent Cu atoms. All Tb–Pd bond lengths are 3.06 Å. All Tb–Cu bond lengths are 2.93 Å. Pd is bonded in a 4-coordinate geometry to four equivalent Tb and twelve equivalent Cu atoms. All Pd–Cu bond lengths are 2.93 Å. Cu is bonded to three equivalent Tb, three equivalent Pd, and six equivalent Cu atoms to form a mixture of face, edge, and corner-sharing CuTb3Cu6Pd3 cuboctahedra. There are three shorter (2.48 Å) and three longer (2.52 Å) Cu–Cu bond lengths.

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Materials Data on TbAlAu by Materials Project

TbAuAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 5-coordinate geometry to six equivalent Au and six equivalent Al atoms. There are a spread of Tb–Au bond distances ranging from 3.05–3.58 Å. There are a spread of Tb–Al bond distances ranging from 3.15–3.37 Å. Au is bonded in a 9-coordinate geometry to six equivalent Tb and four equivalent Al atoms. There are a spread of Au–Al bond distances ranging from 2.64–2.76 Å. Al is bonded in a 4-coordinate geometry to six equivalent Tb and four equivalent Au atoms.

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Materials Data on Tb3Co4Ge13 by Materials Project

Tb3Co4Ge13 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 Ge atoms. All Tb–Co bond lengths are 3.10 Å. There are four shorter (3.08 Å) and eight longer (3.10 Å) Tb–Ge bond lengths. Co is bonded in a 6-coordinate geometry to three equivalent Tb and six equivalent Ge atoms. All Co–Ge bond lengths are 2.40 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 Co, and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.69–2.99 Å. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

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Materials Data on TbNiBi by Materials Project

TbNiBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tb is bonded in a 4-coordinate geometry to four equivalent Ni and six equivalent Bi atoms. All Tb–Ni bond lengths are 2.81 Å. All Tb–Bi bond lengths are 3.25 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Tb and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.81 Å. Bi is bonded in a distorted q6 geometry to six equivalent Tb and four equivalent Ni atoms.

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Materials Data on Tb2CI by Materials Project

Tb2CI is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded to three equivalent C and three equivalent I atoms to form a mixture of distorted face, edge, and corner-sharing TbC3I3 octahedra. The corner-sharing octahedra tilt angles range from 0–39°. All Tb–C bond lengths are 2.53 Å. All Tb–I bond lengths are 3.27 Å. C is bonded to six equivalent Tb atoms to form edge-sharing CTb6 octahedra. I is bonded in a 6-coordinate geometry to six equivalent Tb atoms.

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Materials Data on Tb2Al3Pt by Materials Project

Tb2PtAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to three equivalent Pt and nine equivalent Al atoms. All Tb–Pt bond lengths are 3.25 Å. There are three shorter (3.18 Å) and six longer (3.23 Å) Tb–Al bond lengths. Pt is bonded to six equivalent Tb and six equivalent Al atoms to form PtTb6Al6 cuboctahedra that share corners with six equivalent PtTb6Al6 cuboctahedra, corners with twelve equivalent AlTb6Al4Pt2 cuboctahedra, edges with six equivalent PtTb6Al6 cuboctahedra, and faces with eighteen equivalent AlTb6Al4Pt2 cuboctahedra. All Pt–Al bond lengths are 2.72 Å. Al is bonded to six equivalent Tb, two equivalent Pt, and four equivalent Al atoms to form distorted AlTb6Al4Pt2 cuboctahedra that share corners with four equivalent PtTb6Al6 cuboctahedra, corners with fourteen equivalent AlTb6Al4Pt2 cuboctahedra, edges with six equivalent AlTb6Al4Pt2 cuboctahedra, faces with six equivalent PtTb6Al6 cuboctahedra, and faces with twelve equivalent AlTb6Al4Pt2 cuboctahedra. All Al–Al bond lengths are 2.78 Å.

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Materials Data on Tb2InAg by Materials Project

Tb2AgIn is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tb is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent In atoms. All Tb–Ag bond lengths are 3.17 Å. All Tb–In bond lengths are 3.29 Å. Ag 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.

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Materials Data on TbAl3Cu2 by Materials Project

TbCu2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to six equivalent Cu and twelve equivalent Al atoms. All Tb–Cu bond lengths are 3.10 Å. All Tb–Al bond lengths are 3.36 Å. Cu is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Al atoms. All Cu–Al bond lengths are 2.54 Å. Al is bonded to four equivalent Tb and four equivalent Cu atoms to form a mixture of distorted edge, face, and corner-sharing AlTb4Cu4 cuboctahedra.

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Materials Data on Tb2MgNi2 by Materials Project

MgTb2Ni2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded to eight equivalent Tb and four equivalent Ni atoms to form a mixture of distorted face and corner-sharing MgTb8Ni4 cuboctahedra. All Mg–Tb bond lengths are 3.28 Å. All Mg–Ni bond lengths are 2.91 Å. Tb is bonded in a 6-coordinate geometry to four equivalent Mg and six equivalent Ni atoms. There are two shorter (2.84 Å) and four longer (2.88 Å) Tb–Ni bond lengths. Ni is bonded in a 9-coordinate geometry to two equivalent Mg, six equivalent Tb, and one Ni atom. The Ni–Ni bond length is 2.45 Å.

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