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DOE OSTI2020

Materials Data on Tb3Os by Materials Project

Tb3Os is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 3-coordinate geometry to three equivalent Os atoms. There are a spread of Tb–Os bond distances ranging from 2.86–3.20 Å. In the second Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two equivalent Os atoms. There are one shorter (2.79 Å) and one longer (2.85 Å) Tb–Os bond lengths. Os is bonded in a 8-coordinate geometry to eight Tb atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Tb3(Al3Ru)4 by Materials Project

Tb3Ru4Al12 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded in a 5-coordinate geometry to four equivalent Ru and eleven Al atoms. All Tb–Ru bond lengths are 3.38 Å. There are a spread of Tb–Al bond distances ranging from 2.96–3.21 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Tb and eight Al atoms. There are a spread of Ru–Al bond distances ranging from 2.56–2.70 Å. In the second Ru site, Ru is bonded in a body-centered cubic geometry to eight Al atoms. There are two shorter (2.40 Å) and six longer (2.59 Å) Ru–Al bond lengths. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tb and two equivalent Ru atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Tb and three Ru atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Tb and three equivalent Ru atoms. In the fourth Al site, Al is bonded in a 5-coordinate geometry to three equivalent Tb and two equivalent Ru atoms.

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Materials Data on Tb5Ir3 by Materials Project

Tb5Ir3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to six equivalent Ir atoms to form a mixture of distorted edge, face, and corner-sharing TbIr6 octahedra. The corner-sharing octahedral tilt angles are 36°. All Tb–Ir bond lengths are 3.02 Å. In the second Tb site, Tb is bonded in a 5-coordinate geometry to five equivalent Ir atoms. There are a spread of Tb–Ir bond distances ranging from 2.87–3.32 Å. Ir is bonded in a 9-coordinate geometry to nine Tb atoms.

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Materials Data on Tb3(Al3Os)4 by Materials Project

Tb3(OsAl3)4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded in a 5-coordinate geometry to four equivalent Os and eleven Al atoms. All Tb–Os bond lengths are 3.38 Å. There are a spread of Tb–Al bond distances ranging from 2.96–3.22 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded in a body-centered cubic geometry to eight Al atoms. There are two shorter (2.39 Å) and six longer (2.60 Å) Os–Al bond lengths. In the second Os site, Os is bonded in a 12-coordinate geometry to four equivalent Tb and eight Al atoms. There are a spread of Os–Al bond distances ranging from 2.56–2.69 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Tb and three equivalent Os atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Tb and three Os atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tb and two equivalent Os atoms. In the fourth Al site, Al is bonded to three equivalent Tb and two equivalent Os atoms to form distorted corner-sharing AlTb3Os2 trigonal bipyramids.

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Materials Data on Tb3(Co2Sn)4 by Materials Project

Tb3Co8Sn4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to eight Co and six Sn atoms. There are a spread of Tb–Co bond distances ranging from 3.06–3.56 Å. There are a spread of Tb–Sn bond distances ranging from 3.17–3.26 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to six equivalent Tb and four Sn atoms. There are three shorter (2.52 Å) and one longer (2.64 Å) Co–Sn bond lengths. In the second Co site, Co is bonded to two equivalent Tb, seven Co, and three equivalent Sn atoms to form distorted CoTb2Co7Sn3 cuboctahedra that share corners with four equivalent CoTb2Co7Sn3 cuboctahedra, corners with five equivalent SnTb4Co8 cuboctahedra, faces with six equivalent SnTb4Co8 cuboctahedra, and faces with eight CoTb2Co7Sn3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.38–2.60 Å. There are one shorter (2.65 Å) and two longer (2.66 Å) Co–Sn bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to four equivalent Tb, four Co, and four Sn atoms. The Co–Co bond length is 2.48 Å. There are a spread of Co–Sn bond distances ranging from 2.68–2.81 Å. In the fourth Co site, Co is bonded to nine Co and three equivalent Sn atoms to form CoCo9Sn3 cuboctahedra that share corners with three equivalent SnTb4Co8 cuboctahedra, faces with six equivalent SnTb4Co8 cuboctahedra, and faces with eight CoTb2Co7Sn3 cuboctahedra. All Co–Sn bond lengths are 2.68 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to six equivalent Tb and four Co atoms. In the second Sn site, Sn is bonded to four equivalent Tb and eight Co atoms to form distorted SnTb4Co8 cuboctahedra that share corners with four equivalent SnTb4Co8 cuboctahedra, corners with six CoTb2Co7Sn3 cuboctahedra, faces with eight CoTb2Co7Sn3 cuboctahedra, and faces with eight equivalent SnTb4Co8 cuboctahedra.

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Materials Data on Tb2Ga8Co by Materials Project

Tb2CoGa8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tb is bonded to twelve Ga atoms to form a mixture of face and corner-sharing TbGa12 cuboctahedra. There are a spread of Tb–Ga bond distances ranging from 2.99–3.03 Å. Co is bonded in a body-centered cubic geometry to eight Ga atoms. All Co–Ga bond lengths are 2.48 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Tb, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.55–3.01 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Tb, two equivalent Co, and seven Ga atoms. There are one shorter (2.55 Å) and two longer (2.95 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Tb, two equivalent Co, and seven Ga atoms. Both Ga–Tb bond lengths are 2.99 Å. There are two shorter (2.95 Å) and four longer (3.01 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Tb atoms. In the fifth Ga site, Ga is bonded in a distorted rectangular see-saw-like geometry to four equivalent Tb and four Ga atoms.

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Materials Data on Tb3Ru by Materials Project

Tb3Ru is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 2-coordinate geometry to three equivalent Ru atoms. There are a spread of Tb–Ru bond distances ranging from 2.86–3.26 Å. In the second Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two equivalent Ru atoms. There are one shorter (2.77 Å) and one longer (2.80 Å) Tb–Ru bond lengths. Ru is bonded in a 6-coordinate geometry to eight Tb atoms.

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Materials Data on Tb3Se2NO by Materials Project

Tb3NSe2O crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 4-coordinate geometry to two equivalent N3-, three equivalent Se2-, and two equivalent O2- atoms. Both Tb–N bond lengths are 2.35 Å. There are one shorter (3.06 Å) and two longer (3.10 Å) Tb–Se bond lengths. There are one shorter (2.30 Å) and one longer (2.33 Å) Tb–O bond lengths. In the second Tb3+ site, Tb3+ is bonded in a 6-coordinate geometry to one N3-, three Se2-, and two equivalent O2- atoms. The Tb–N bond length is 2.24 Å. There are one shorter (2.96 Å) and two longer (3.04 Å) Tb–Se bond lengths. Both Tb–O bond lengths are 2.29 Å. In the third Tb3+ site, Tb3+ is bonded to one N3- and five Se2- atoms to form distorted edge-sharing TbSe5N octahedra. The Tb–N bond length is 2.18 Å. There are a spread of Tb–Se bond distances ranging from 2.86–3.23 Å. N3- is bonded to four Tb3+ atoms to form NTb4 tetrahedra that share corners with five equivalent SeTb5 square pyramids, corners with two equivalent NTb4 tetrahedra, corners with two equivalent OTb4 tetrahedra, and edges with two equivalent OTb4 tetrahedra. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to six Tb3+ atoms. In the second Se2- site, Se2- is bonded to five Tb3+ atoms to form distorted SeTb5 square pyramids that share corners with two equivalent OTb4 tetrahedra, corners with five equivalent NTb4 tetrahedra, edges with four equivalent SeTb5 square pyramids, and an edgeedge with one OTb4 tetrahedra. O2- is bonded to four Tb3+ atoms to form OTb4 tetrahedra that share corners with two equivalent SeTb5 square pyramids, corners with two equivalent NTb4 tetrahedra, corners with two equivalent OTb4 tetrahedra, an edgeedge with one SeTb5 square pyramid, an edgeedge with one OTb4 tetrahedra, and edges with two equivalent NTb4 tetrahedra.

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Materials Data on Tb3Co by Materials Project

Tb3Co is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Tb3Co sheets oriented in the (0, 0, 1) direction. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 2-coordinate geometry to two equivalent Co atoms. There are one shorter (2.74 Å) and one longer (2.87 Å) Tb–Co bond lengths. In the second Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two equivalent Co atoms. There are one shorter (2.67 Å) and one longer (2.83 Å) Tb–Co bond lengths. Co is bonded in a 6-coordinate geometry to six Tb atoms.

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Materials Data on TbCu5Sn by Materials Project

TbCu5Sn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to fifteen Cu and four equivalent Sn atoms. There are a spread of Tb–Cu bond distances ranging from 2.90–3.39 Å. There are a spread of Tb–Sn bond distances ranging from 3.28–3.41 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Tb, seven Cu, and two equivalent Sn atoms to form a mixture of face, edge, and corner-sharing CuTb3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.50–2.59 Å. Both Cu–Sn bond lengths are 2.81 Å. In the second Cu site, Cu is bonded to three equivalent Tb, seven Cu, and two equivalent Sn atoms to form a mixture of face, edge, and corner-sharing CuTb3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.50–2.56 Å. There are one shorter (2.77 Å) and one longer (2.79 Å) Cu–Sn bond lengths. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Tb, five Cu, and one Sn atom. The Cu–Sn bond length is 2.79 Å. In the fourth Cu site, Cu is bonded in a 4-coordinate geometry to three equivalent Tb, four Cu, and three equivalent Sn atoms. There are one shorter (2.64 Å) and two longer (3.02 Å) Cu–Sn bond lengths. Sn is bonded in a 1-coordinate geometry to four equivalent Tb and ten Cu atoms.

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Materials Data on Tb5Si2BO13 by Materials Project

Tb5Si2BO13 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are eight 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 2.30–2.84 Å. In the second 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 2.33–2.85 Å. In the third Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tb–O bond distances ranging from 2.21–2.61 Å. In the fourth Tb3+ site, Tb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tb–O bond distances ranging from 2.19–2.38 Å. In the fifth Tb3+ site, Tb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tb–O bond distances ranging from 2.23–2.35 Å. In the sixth Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tb–O bond distances ranging from 2.23–2.63 Å. In the seventh Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tb–O bond distances ranging from 2.21–2.72 Å. In the eighth Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tb–O bond distances ranging from 2.22–2.61 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.50 Å) and two longer (1.51 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of B–O bond distances ranging from 1.48–1.53 Å. There are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. All Si–O bond lengths are 1.64 Å. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.62 Å) and three longer (1.64 Å) Si–O bond length. In the third Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.61 Å) and three longer (1.64 Å) Si–O bond length. In the fourth Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.63 Å) and three longer (1.64 Å) Si–O bond length. There are twenty inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Tb3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Tb3+ and one B3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Tb3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Tb3+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Tb3+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Tb3+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to three Tb3+ and one B3+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Tb3+ and one B3+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Tb3+ and one Si4+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to three Tb3+ and one Si4+ atom. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to three Tb3+ and one Si4+ atom. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to three Tb3+ and one Si4+ atom. In the thirteenth O2- site, O2- is bonded in a 1-coordinate geometry to three Tb3+ and one B3+ atom. In the fourteenth O2- site, O2- is bonded in a 1-coordinate geometry to three Tb3+ and one B3+ atom. In the fifteenth O2- site, O2- is bonded in a 4-coordinate geometry to three Tb3+ and one Si4+ atom. In the sixteenth O2- site, O2- is bonded in a 4-coordinate geometry to three Tb3+ and one Si4+ atom. In the seventeenth O2- site, O2- is bonded in a 4-coordinate geometry to three Tb3+ and one Si4+ atom. In the eighteenth O2- site, O2- is bonded in a 1-coordinate geometry to three Tb3+ and one Si4+ atom. In the nineteenth O2- site, O2- is bonded in a trigonal planar geometry to three Tb3+ atoms. In the twentieth O2- site, O2- is bonded in a trigonal planar geometry to three Tb3+ atoms.

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Materials Data on Tb2Au by Materials Project

Tb2Au is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Au atoms to form a mixture of edge and corner-sharing TbAu4 tetrahedra. There are a spread of Tb–Au bond distances ranging from 2.93–3.07 Å. In the second Tb site, Tb is bonded in a 3-coordinate geometry to five equivalent Au atoms. There are a spread of Tb–Au bond distances ranging from 2.97–3.65 Å. Au is bonded in a 9-coordinate geometry to nine Tb atoms.

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Materials Data on Tb2N3 by Materials Project

Tb2N3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Tb+3.50+ sites. In the first Tb+3.50+ site, Tb+3.50+ is bonded to six equivalent N+2.33- atoms to form a mixture of distorted edge and corner-sharing TbN6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Tb–N bond lengths are 2.37 Å. In the second Tb+3.50+ site, Tb+3.50+ is bonded to six equivalent N+2.33- atoms to form a mixture of distorted edge and corner-sharing TbN6 octahedra. The corner-sharing octahedra tilt angles range from 56–58°. There are a spread of Tb–N bond distances ranging from 2.34–2.42 Å. N+2.33- is bonded to four Tb+3.50+ atoms to form a mixture of distorted edge and corner-sharing NTb4 tetrahedra.

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Materials Data on Tb2(InSn)3 by Materials Project

Tb2(InSn)3 is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Tb is bonded to six In and six Sn atoms to form TbIn6Sn6 cuboctahedra that share corners with twelve equivalent TbIn6Sn6 cuboctahedra, edges with twelve InTb4In2Sn6 cuboctahedra, edges with twelve SnTb4In4Sn4 cuboctahedra, faces with six equivalent TbIn6Sn6 cuboctahedra, faces with six InTb4In2Sn6 cuboctahedra, and faces with six SnTb4In4Sn4 cuboctahedra. There are four shorter (3.31 Å) and two longer (3.35 Å) Tb–In bond lengths. There are a spread of Tb–Sn bond distances ranging from 3.27–3.34 Å. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Tb, two equivalent In, and six Sn atoms to form distorted InTb4In2Sn6 cuboctahedra that share corners with twelve equivalent InTb4In2Sn6 cuboctahedra, edges with four equivalent InTb4In4Sn4 cuboctahedra, edges with eight equivalent TbIn6Sn6 cuboctahedra, edges with twelve SnTb4In4Sn4 cuboctahedra, faces with four equivalent TbIn6Sn6 cuboctahedra, faces with six SnTb4In4Sn4 cuboctahedra, and faces with eight InTb4In2Sn6 cuboctahedra. Both In–In bond lengths are 3.30 Å. There are a spread of In–Sn bond distances ranging from 3.31–3.33 Å. In the second In site, In is bonded to four equivalent Tb, four equivalent In, and four equivalent Sn atoms to form distorted InTb4In4Sn4 cuboctahedra that share corners with four equivalent InTb4In4Sn4 cuboctahedra, corners with eight equivalent SnTb4In4Sn4 cuboctahedra, edges with eight equivalent TbIn6Sn6 cuboctahedra, edges with eight equivalent InTb4In2Sn6 cuboctahedra, edges with eight equivalent SnTb4In4Sn4 cuboctahedra, faces with four equivalent TbIn6Sn6 cuboctahedra, faces with six SnTb4In4Sn4 cuboctahedra, and faces with eight InTb4In2Sn6 cuboctahedra. All In–Sn bond lengths are 3.31 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Tb, four equivalent In, and four equivalent Sn atoms to form distorted SnTb4In4Sn4 cuboctahedra that share corners with four equivalent SnTb4In4Sn4 cuboctahedra, corners with eight equivalent InTb4In4Sn4 cuboctahedra, edges with eight equivalent TbIn6Sn6 cuboctahedra, edges with eight equivalent InTb4In2Sn6 cuboctahedra, edges with eight equivalent SnTb4In8 cuboctahedra, faces with four equivalent TbIn6Sn6 cuboctahedra, faces with six InTb4In2Sn6 cuboctahedra, and faces with eight SnTb4In4Sn4 cuboctahedra. All Sn–Sn bond lengths are 3.31 Å. In the second Sn site, Sn is bonded to four equivalent Tb and eight In atoms to form SnTb4In8 cuboctahedra that share corners with twelve SnTb4In8 cuboctahedra, edges with eight equivalent TbIn6Sn6 cuboctahedra, edges with eight equivalent InTb4In2Sn6 cuboctahedra, edges with eight equivalent SnTb4In4Sn4 cuboctahedra, faces with four equivalent TbIn6Sn6 cuboctahedra, faces with six SnTb4In8 cuboctahedra, and faces with eight InTb4In2Sn6 cuboctahedra. In the third Sn site, Sn is bonded to four equivalent Tb, four equivalent In, and four equivalent Sn atoms to form distorted SnTb4In4Sn4 cuboctahedra that share corners with twelve SnTb4In8 cuboctahedra, edges with eight equivalent TbIn6Sn6 cuboctahedra, edges with sixteen InTb4In2Sn6 cuboctahedra, faces with four equivalent TbIn6Sn6 cuboctahedra, faces with four equivalent InTb4In2Sn6 cuboctahedra, and faces with ten SnTb4In4Sn4 cuboctahedra.

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Materials Data on Tb5Pt3 by Materials Project

Tb5Pt3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to six equivalent Pt atoms. All Tb–Pt bond lengths are 3.04 Å. In the second Tb site, Tb is bonded in a 5-coordinate geometry to five equivalent Pt atoms. There are a spread of Tb–Pt bond distances ranging from 2.91–3.38 Å. Pt is bonded in a 9-coordinate geometry to nine Tb atoms.

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Materials Data on Tb3Ir by Materials Project

Tb3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 2-coordinate geometry to three equivalent Ir atoms. There are a spread of Tb–Ir bond distances ranging from 2.87–3.29 Å. In the second Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two equivalent Ir atoms. There are one shorter (2.78 Å) and one longer (2.88 Å) Tb–Ir bond lengths. Ir is bonded in a 6-coordinate geometry to eight Tb atoms.

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Materials Data on Tb3Rh by Materials Project

Tb3Rh is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Tb3Rh sheets oriented in the (0, 0, 1) direction. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 2-coordinate geometry to two equivalent Rh atoms. There are one shorter (2.85 Å) and one longer (2.86 Å) Tb–Rh bond lengths. In the second Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two equivalent Rh atoms. There are one shorter (2.80 Å) and one longer (2.89 Å) Tb–Rh bond lengths. Rh is bonded in a 6-coordinate geometry to six Tb atoms.

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Materials Data on Tb3Mn3Ga2Si by Materials Project

Tb3Mn3Ga2Si crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Tb is bonded in a 5-coordinate geometry to six equivalent Mn, three Ga, and two equivalent Si atoms. There are a spread of Tb–Mn bond distances ranging from 3.20–3.36 Å. There are one shorter (2.94 Å) and two longer (2.98 Å) Tb–Ga bond lengths. Both Tb–Si bond lengths are 2.95 Å. Mn is bonded in a 12-coordinate geometry to six equivalent Tb, two equivalent Mn, three Ga, and one Si atom. Both Mn–Mn bond lengths are 2.87 Å. There are two shorter (2.67 Å) and one longer (2.80 Å) Mn–Ga bond lengths. The Mn–Si bond length is 2.69 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to three equivalent Tb and six equivalent Mn atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Mn atoms. Si is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Mn atoms.

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