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DOE OSTI2020

Materials Data on TbAgGe by Materials Project

TbAgGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five Ag and six equivalent Ge atoms. There are one shorter (2.93 Å) and four longer (3.07 Å) Tb–Ag bond lengths. There are two shorter (3.23 Å) and four longer (3.31 Å) Tb–Ge bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Ge atoms. All Ag–Ge bond lengths are 2.74 Å. In the second Ag site, Ag is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Ge atoms. All Ag–Ge bond lengths are 2.86 Å. Ge is bonded in a distorted q6 geometry to six equivalent Tb and four Ag atoms.

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Materials Data on Tb3Al by Materials Project

Tb3Al is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded to eight equivalent Tb and four equivalent Al atoms to form distorted TbTb8Al4 cuboctahedra that share corners with twelve equivalent TbTb8Al4 cuboctahedra, edges with eight equivalent AlTb12 cuboctahedra, edges with sixteen equivalent TbTb8Al4 cuboctahedra, faces with four equivalent AlTb12 cuboctahedra, and faces with fourteen equivalent TbTb8Al4 cuboctahedra. All Tb–Tb bond lengths are 3.38 Å. All Tb–Al bond lengths are 3.38 Å. Al is bonded to twelve equivalent Tb atoms to form AlTb12 cuboctahedra that share corners with twelve equivalent AlTb12 cuboctahedra, edges with twenty-four equivalent TbTb8Al4 cuboctahedra, faces with six equivalent AlTb12 cuboctahedra, and faces with twelve equivalent TbTb8Al4 cuboctahedra.

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Materials Data on TbAlNi by Materials Project

TbNiAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five Ni and six equivalent Al atoms. There are four shorter (2.86 Å) and one longer (2.95 Å) Tb–Ni bond lengths. There are two shorter (3.11 Å) and four longer (3.20 Å) Tb–Al bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Al atoms. All Ni–Al bond lengths are 2.54 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Al atoms. All Ni–Al bond lengths are 2.77 Å. Al is bonded in a 12-coordinate geometry to six equivalent Tb, four Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.88 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbZnSn2 by Materials Project

TbZnSn2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Tb is bonded to four equivalent Zn and eight Sn atoms to form a mixture of face, edge, and corner-sharing TbZn4Sn8 cuboctahedra. All Tb–Zn bond lengths are 3.28 Å. There are four shorter (3.16 Å) and four longer (3.32 Å) Tb–Sn bond lengths. Zn is bonded in a 12-coordinate geometry to four equivalent Tb and four equivalent Sn atoms. All Zn–Sn bond lengths are 2.85 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Tb and four equivalent Zn atoms. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Tb and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.10 Å.

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Materials Data on TbZnNi by Materials Project

TbNiZn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five Ni and six equivalent Zn atoms. There are four shorter (2.85 Å) and one longer (2.88 Å) Tb–Ni bond lengths. There are two shorter (3.10 Å) and four longer (3.14 Å) Tb–Zn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Zn atoms. All Ni–Zn bond lengths are 2.54 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Zn atoms. All Ni–Zn bond lengths are 2.72 Å. Zn is bonded in a 12-coordinate geometry to six equivalent Tb, four Ni, and two equivalent Zn atoms. Both Zn–Zn bond lengths are 2.95 Å.

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Materials Data on TbGa3Os by Materials Project

TbOsGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to four equivalent Os and ten Ga atoms. All Tb–Os bond lengths are 3.22 Å. There are eight shorter (2.97 Å) and two longer (3.22 Å) Tb–Ga bond lengths. Os is bonded to four equivalent Tb and eight equivalent Ga atoms to form distorted OsTb4Ga8 cuboctahedra that share corners with four equivalent OsTb4Ga8 cuboctahedra, edges with four equivalent GaTb6 octahedra, and faces with eight equivalent OsTb4Ga8 cuboctahedra. All Os–Ga bond lengths are 2.68 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Tb atoms to form GaTb6 octahedra that share corners with six equivalent GaTb6 octahedra and edges with twelve equivalent OsTb4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Tb, three equivalent Os, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.71 Å.

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Materials Data on TbInCu by Materials Project

TbCuIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five Cu and six equivalent In atoms. There are four shorter (3.01 Å) and one longer (3.06 Å) Tb–Cu bond lengths. There are two shorter (3.20 Å) and four longer (3.34 Å) Tb–In bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent In atoms. All Cu–In bond lengths are 2.83 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent In atoms. All Cu–In bond lengths are 2.74 Å. In is bonded in a 10-coordinate geometry to six equivalent Tb and four Cu atoms.

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Materials Data on TbMn2 by Materials Project

TbMn2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to four equivalent Tb and twelve equivalent Mn atoms. All Tb–Tb bond lengths are 3.14 Å. All Tb–Mn bond lengths are 3.01 Å. Mn is bonded to six equivalent Tb and six equivalent Mn atoms to form a mixture of corner, edge, and face-sharing MnTb6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.57 Å.

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Materials Data on TbInCo2 by Materials Project

TbCo2In crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Tb is bonded in a 1-coordinate geometry to seven Co and six equivalent In atoms. There are a spread of Tb–Co bond distances ranging from 2.64–3.10 Å. There are four shorter (3.27 Å) and two longer (3.34 Å) Tb–In bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 3-coordinate geometry to three equivalent Tb, four equivalent Co, and two equivalent In atoms. All Co–Co bond lengths are 2.46 Å. Both Co–In bond lengths are 2.74 Å. In the second Co site, Co is bonded to four equivalent Tb, six Co, and two equivalent In atoms to form a mixture of face, edge, and corner-sharing CoTb4In2Co6 cuboctahedra. Both Co–Co bond lengths are 2.52 Å. Both Co–In bond lengths are 2.80 Å. In is bonded in a 12-coordinate geometry to six equivalent Tb, four Co, and two equivalent In atoms. Both In–In bond lengths are 3.33 Å.

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Materials Data on TbInRh by Materials Project

TbRhIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five Rh and six equivalent In atoms. There are four shorter (3.03 Å) and one longer (3.07 Å) Tb–Rh bond lengths. There are two shorter (3.22 Å) and four longer (3.34 Å) Tb–In bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent In atoms. All Rh–In bond lengths are 2.85 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent In atoms. All Rh–In bond lengths are 2.77 Å. In is bonded in a 10-coordinate geometry to six equivalent Tb and four Rh atoms.

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Materials Data on TbInPd by Materials Project

TbPdIn 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 In atoms. There are four shorter (3.03 Å) and one longer (3.20 Å) Tb–Pd bond lengths. There are two shorter (3.20 Å) and four longer (3.38 Å) Tb–In 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 In atoms. All Pd–In bond lengths are 2.78 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent In atoms. All Pd–In bond lengths are 2.93 Å. In is bonded in a 10-coordinate geometry to six equivalent Tb and four Pd atoms.

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DOE OSTI2020

Materials Data on TbInIr by Materials Project

TbIrIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five Ir and six equivalent In atoms. There are four shorter (3.03 Å) and one longer (3.06 Å) Tb–Ir bond lengths. There are two shorter (3.23 Å) and four longer (3.34 Å) Tb–In bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent In atoms. All Ir–In bond lengths are 2.78 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent In atoms. All Ir–In bond lengths are 2.84 Å. In is bonded in a 10-coordinate geometry to six equivalent Tb and four Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbInAu by Materials Project

TbAuIn 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 In atoms. There are four shorter (3.11 Å) and one longer (3.14 Å) Tb–Au bond lengths. There are two shorter (3.30 Å) and four longer (3.42 Å) Tb–In 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 In atoms. All Au–In bond lengths are 2.86 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent In atoms. All Au–In bond lengths are 2.92 Å. In is bonded in a 4-coordinate geometry to six equivalent Tb and four Au atoms.

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Materials Data on TbTlPd by Materials Project

TbPdTl 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 Tl atoms. There are four shorter (3.07 Å) and one longer (3.17 Å) Tb–Pd bond lengths. There are two shorter (3.23 Å) and four longer (3.38 Å) Tb–Tl 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 Tl atoms. All Pd–Tl bond lengths are 2.84 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Tl atoms. All Pd–Tl bond lengths are 2.93 Å. Tl is bonded in a 10-coordinate geometry to six equivalent Tb and four Pd atoms.

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Materials Data on TbCoSn2 by Materials Project

TbCoSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to four equivalent Co and ten Sn atoms. All Tb–Co bond lengths are 3.35 Å. There are a spread of Tb–Sn bond distances ranging from 3.30–3.69 Å. Co is bonded in a 9-coordinate geometry to four equivalent Tb and five Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.41–2.56 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to six equivalent Tb, one Co, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.85 Å. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Tb and four equivalent Co atoms.

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DOE OSTI2020

Materials Data on Tb2Al3Si2 by Materials Project

Tb2Al3Si2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six Al and five equivalent Si atoms. There are a spread of Tb–Al bond distances ranging from 3.03–3.26 Å. There are a spread of Tb–Si bond distances ranging from 2.90–3.02 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to four equivalent Tb and two equivalent Si atoms. Both Al–Si bond lengths are 2.62 Å. In the second Al site, Al is bonded in a 6-coordinate geometry to four equivalent Tb and two equivalent Si atoms. Both Al–Si bond lengths are 2.73 Å. Si is bonded in a 9-coordinate geometry to five equivalent Tb, three Al, and one Si atom. The Si–Si bond length is 2.39 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbNiGe2 by Materials Project

TbNiGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ge atoms. All Tb–Ni bond lengths are 3.18 Å. There are a spread of Tb–Ge bond distances ranging from 3.12–3.24 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Tb and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.30–2.39 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Tb, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.52 Å. In the second Ge site, Ge is bonded in a 12-coordinate geometry to four equivalent Tb and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2Tb3AlF16 by Materials Project

Rb2AlTb3F16 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Rb–F bond distances ranging from 3.13–3.51 Å. Tb+3.67+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Tb–F bond distances ranging from 2.26–2.37 Å. Al3+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Al–F bond lengths are 1.83 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Tb+3.67+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Tb+3.67+ atoms. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two equivalent Tb+3.67+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one Tb+3.67+, and one Al3+ atom.

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