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DOE OSTI2020

Materials Data on Tb2Fe17N3 by Materials Project

Tb2Fe17N3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tb is bonded in a trigonal planar geometry to four Fe and three equivalent N atoms. There are one shorter (3.10 Å) and three longer (3.32 Å) Tb–Fe bond lengths. All Tb–N bond lengths are 2.49 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Tb and ten Fe atoms to form FeTb2Fe10 cuboctahedra that share corners with four equivalent FeTb2Fe10 cuboctahedra, corners with two equivalent NTb2Fe4 octahedra, faces with four equivalent FeTb2Fe10 cuboctahedra, and faces with four equivalent NTb2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of Fe–Fe bond distances ranging from 2.45–2.65 Å. In the second Fe site, Fe is bonded in a single-bond geometry to four Fe and one N atom. Both Fe–Fe bond lengths are 2.71 Å. The Fe–N bond length is 1.88 Å. In the third Fe site, Fe is bonded in a single-bond geometry to three Fe and one N atom. The Fe–Fe bond length is 2.65 Å. The Fe–N bond length is 1.92 Å. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Tb and thirteen Fe atoms. The Fe–Fe bond length is 2.39 Å. N is bonded to two equivalent Tb and four Fe atoms to form NTb2Fe4 octahedra that share corners with two equivalent FeTb2Fe10 cuboctahedra, corners with four equivalent NTb2Fe4 octahedra, and faces with four equivalent FeTb2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.

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Materials Data on Tb3Te3N by Materials Project

Tb3NTe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a distorted L-shaped geometry to two equivalent N3- and four Te2- atoms. There are one shorter (2.27 Å) and one longer (2.30 Å) Tb–N bond lengths. There are a spread of Tb–Te bond distances ranging from 3.21–3.40 Å. In the second Tb3+ site, Tb3+ is bonded in a distorted single-bond geometry to one N3- and five Te2- atoms. The Tb–N bond length is 2.23 Å. There are a spread of Tb–Te bond distances ranging from 3.04–3.25 Å. In the third Tb3+ site, Tb3+ is bonded in a distorted single-bond geometry to one N3- and five Te2- atoms. The Tb–N bond length is 2.23 Å. There are a spread of Tb–Te bond distances ranging from 3.07–3.33 Å. N3- is bonded to four Tb3+ atoms to form edge-sharing NTb4 tetrahedra. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to four Tb3+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to five Tb3+ atoms. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to five Tb3+ atoms.

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Materials Data on Tb3Th by Materials Project

ThTb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded to twelve equivalent Tb atoms to form ThTb12 cuboctahedra that share corners with six equivalent ThTb12 cuboctahedra, corners with twelve equivalent TbTb8Th4 cuboctahedra, edges with eighteen equivalent TbTb8Th4 cuboctahedra, faces with eight equivalent ThTb12 cuboctahedra, and faces with twelve equivalent TbTb8Th4 cuboctahedra. There are six shorter (3.57 Å) and six longer (3.58 Å) Th–Tb bond lengths. Tb is bonded to four equivalent Th and eight equivalent Tb atoms to form TbTb8Th4 cuboctahedra that share corners with four equivalent ThTb12 cuboctahedra, corners with fourteen equivalent TbTb8Th4 cuboctahedra, edges with six equivalent ThTb12 cuboctahedra, edges with twelve equivalent TbTb8Th4 cuboctahedra, faces with four equivalent ThTb12 cuboctahedra, and faces with sixteen equivalent TbTb8Th4 cuboctahedra. There are a spread of Tb–Tb bond distances ranging from 3.56–3.59 Å.

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Materials Data on TbAlCo4 by Materials Project

TbCo4Al crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Tb is bonded in a distorted hexagonal planar geometry to fourteen Co and four equivalent Al atoms. There are a spread of Tb–Co bond distances ranging from 2.84–3.18 Å. All Tb–Al bond lengths are 3.17 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Tb, four equivalent Co, and two equivalent Al atoms. All Co–Co bond lengths are 2.45 Å. Both Co–Al bond lengths are 2.48 Å. In the second Co site, Co is bonded to four equivalent Tb, six Co, and two equivalent Al atoms to form distorted CoTb4Al2Co6 cuboctahedra that share corners with four equivalent AlTb4Co8 cuboctahedra, corners with twelve equivalent CoTb4Al2Co6 cuboctahedra, edges with four equivalent AlTb4Co8 cuboctahedra, edges with six equivalent CoTb4Al2Co6 cuboctahedra, faces with four equivalent AlTb4Co8 cuboctahedra, and faces with six equivalent CoTb4Al2Co6 cuboctahedra. Both Co–Co bond lengths are 2.45 Å. Both Co–Al bond lengths are 2.47 Å. Al is bonded to four equivalent Tb and eight Co atoms to form distorted AlTb4Co8 cuboctahedra that share corners with eight equivalent CoTb4Al2Co6 cuboctahedra, corners with eight equivalent AlTb4Co8 cuboctahedra, edges with two equivalent AlTb4Co8 cuboctahedra, edges with eight equivalent CoTb4Al2Co6 cuboctahedra, faces with two equivalent AlTb4Co8 cuboctahedra, and faces with eight equivalent CoTb4Al2Co6 cuboctahedra.

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Materials Data on Tb3Np by Materials Project

NpTb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Np is bonded to twelve equivalent Tb atoms to form NpTb12 cuboctahedra that share corners with six equivalent NpTb12 cuboctahedra, corners with twelve equivalent TbTb8Np4 cuboctahedra, edges with eighteen equivalent TbTb8Np4 cuboctahedra, faces with eight equivalent NpTb12 cuboctahedra, and faces with twelve equivalent TbTb8Np4 cuboctahedra. There are six shorter (3.45 Å) and six longer (3.51 Å) Np–Tb bond lengths. Tb is bonded to four equivalent Np and eight equivalent Tb atoms to form distorted TbTb8Np4 cuboctahedra that share corners with four equivalent NpTb12 cuboctahedra, corners with fourteen equivalent TbTb8Np4 cuboctahedra, edges with six equivalent NpTb12 cuboctahedra, edges with twelve equivalent TbTb8Np4 cuboctahedra, faces with four equivalent NpTb12 cuboctahedra, and faces with sixteen equivalent TbTb8Np4 cuboctahedra. There are a spread of Tb–Tb bond distances ranging from 3.45–3.56 Å.

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Materials Data on TbMgPd by Materials Project

MgTbPd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to six equivalent Tb and four Pd atoms. There are two shorter (3.27 Å) and four longer (3.37 Å) Mg–Tb bond lengths. There are two shorter (2.73 Å) and two longer (2.90 Å) Mg–Pd bond lengths. Tb is bonded in a 5-coordinate geometry to six equivalent Mg and five Pd atoms. There are four shorter (3.03 Å) and one longer (3.11 Å) Tb–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Tb atoms. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Tb atoms.

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Materials Data on TbHo by Materials Project

HoTb crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ho is bonded to six equivalent Ho and six equivalent Tb atoms to form HoTb6Ho6 cuboctahedra that share corners with eighteen equivalent HoTb6Ho6 cuboctahedra, edges with six equivalent HoTb6Ho6 cuboctahedra, edges with twelve equivalent TbTb6Ho6 cuboctahedra, faces with eight equivalent HoTb6Ho6 cuboctahedra, and faces with twelve equivalent TbTb6Ho6 cuboctahedra. All Ho–Ho bond lengths are 3.60 Å. All Ho–Tb bond lengths are 3.54 Å. Tb is bonded to six equivalent Ho and six equivalent Tb atoms to form TbTb6Ho6 cuboctahedra that share corners with eighteen equivalent TbTb6Ho6 cuboctahedra, edges with six equivalent TbTb6Ho6 cuboctahedra, edges with twelve equivalent HoTb6Ho6 cuboctahedra, faces with eight equivalent TbTb6Ho6 cuboctahedra, and faces with twelve equivalent HoTb6Ho6 cuboctahedra. All Tb–Tb bond lengths are 3.60 Å.

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Materials Data on Tb3Np by Materials Project

NpTb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Np is bonded to twelve equivalent Tb atoms to form NpTb12 cuboctahedra that share corners with twelve equivalent NpTb12 cuboctahedra, edges with twenty-four equivalent TbTb8Np4 cuboctahedra, faces with six equivalent NpTb12 cuboctahedra, and faces with twelve equivalent TbTb8Np4 cuboctahedra. All Np–Tb bond lengths are 3.49 Å. Tb is bonded to four equivalent Np and eight equivalent Tb atoms to form TbTb8Np4 cuboctahedra that share corners with twelve equivalent TbTb8Np4 cuboctahedra, edges with eight equivalent NpTb12 cuboctahedra, edges with sixteen equivalent TbTb8Np4 cuboctahedra, faces with four equivalent NpTb12 cuboctahedra, and faces with fourteen equivalent TbTb8Np4 cuboctahedra. All Tb–Tb bond lengths are 3.49 Å.

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Materials Data on TbSm by Materials Project

TbSm crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tb is bonded to six equivalent Tb and six equivalent Sm atoms to form TbTb6Sm6 cuboctahedra that share corners with eighteen equivalent TbTb6Sm6 cuboctahedra, edges with six equivalent TbTb6Sm6 cuboctahedra, edges with twelve equivalent SmTb6Sm6 cuboctahedra, faces with eight equivalent TbTb6Sm6 cuboctahedra, and faces with twelve equivalent SmTb6Sm6 cuboctahedra. All Tb–Tb bond lengths are 3.64 Å. All Tb–Sm bond lengths are 3.61 Å. Sm is bonded to six equivalent Tb and six equivalent Sm atoms to form SmTb6Sm6 cuboctahedra that share corners with eighteen equivalent SmTb6Sm6 cuboctahedra, edges with six equivalent SmTb6Sm6 cuboctahedra, edges with twelve equivalent TbTb6Sm6 cuboctahedra, faces with eight equivalent SmTb6Sm6 cuboctahedra, and faces with twelve equivalent TbTb6Sm6 cuboctahedra. All Sm–Sm bond lengths are 3.64 Å.

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Materials Data on Tb3Eu by Materials Project

Tb3Eu 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 Eu atoms to form TbTb8Eu4 cuboctahedra that share corners with twelve equivalent TbTb8Eu4 cuboctahedra, edges with eight equivalent EuTb12 cuboctahedra, edges with sixteen equivalent TbTb8Eu4 cuboctahedra, faces with four equivalent EuTb12 cuboctahedra, and faces with fourteen equivalent TbTb8Eu4 cuboctahedra. All Tb–Tb bond lengths are 3.59 Å. All Tb–Eu bond lengths are 3.59 Å. Eu is bonded to twelve equivalent Tb atoms to form EuTb12 cuboctahedra that share corners with twelve equivalent EuTb12 cuboctahedra, edges with twenty-four equivalent TbTb8Eu4 cuboctahedra, faces with six equivalent EuTb12 cuboctahedra, and faces with twelve equivalent TbTb8Eu4 cuboctahedra.

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Materials Data on LiTb6B3O14 by Materials Project

LiTb6B3O14 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Li–O bond distances ranging from 2.03–2.57 Å. There are six inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to seven O2- atoms to form a mixture of distorted edge and corner-sharing TbO7 pentagonal bipyramids. There are a spread of Tb–O bond distances ranging from 2.25–2.45 Å. In the second 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 2.30–2.52 Å. In the third 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 2.28–2.82 Å. In the fourth Tb3+ site, Tb3+ is bonded to seven O2- atoms to form a mixture of distorted edge and corner-sharing TbO7 pentagonal bipyramids. There are a spread of Tb–O bond distances ranging from 2.28–2.44 Å. In the fifth Tb3+ site, Tb3+ is bonded to seven O2- atoms to form a mixture of distorted edge and corner-sharing TbO7 pentagonal bipyramids. There are a spread of Tb–O bond distances ranging from 2.29–2.43 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 2.23–2.54 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.39 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.40 Å) B–O bond length. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.39 Å) and one longer (1.40 Å) B–O bond length. There are fourteen 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 1-coordinate geometry to one Li1+, two Tb3+, and one B3+ atom. In the third O2- site, O2- is bonded to four Tb3+ atoms to form OTb4 tetrahedra that share corners with seven OLiTb2B tetrahedra and edges with two OTb4 tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two Tb3+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Li1+, three Tb3+, and one B3+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, two Tb3+, and one B3+ atom. In the seventh O2- site, O2- is bonded to one Li1+, two Tb3+, and one B3+ atom to form a mixture of distorted edge and corner-sharing OLiTb2B tetrahedra. In the eighth O2- site, O2- is bonded to four Tb3+ atoms to form OTb4 tetrahedra that share corners with seven OLiTb2B tetrahedra and edges with three OTb4 tetrahedra. In the ninth O2- site, O2- is bonded to four Tb3+ atoms to form a mixture of edge and corner-sharing OTb4 tetrahedra. In the tenth O2- site, O2- is bonded to four Tb3+ atoms to form OTb4 tetrahedra that share corners with four OLiTb2B tetrahedra and edges with four OTb4 tetrahedra. In the eleventh O2- site, O2- is bonded to four Tb3+ atoms to form OTb4 tetrahedra that share corners with seven OLiTb2B tetrahedra and an edgeedge with one OTb4 tetrahedra. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one Li1+, three Tb3+, and one B3+ atom. In the thirteenth O2- site, O2- is bonded in a distorted single-bond geometry to one Li1+, two Tb3+, and one B3+ atom. In the fourteenth O2- site, O2- is bonded in a distorted single-bond geometry to three Tb3+ and one B3+ atom.

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Materials Data on LiTbSn2 by Materials Project

LiTbSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Tb and five Sn atoms. All Li–Tb bond lengths are 3.39 Å. There are a spread of Li–Sn bond distances ranging from 2.48–2.67 Å. Tb is bonded in a 4-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of Tb–Sn bond distances ranging from 3.36–3.60 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted single-bond geometry to one Li and six equivalent Tb atoms. In the second Sn site, Sn is bonded to four equivalent Li and four equivalent Tb atoms to form a mixture of distorted edge and face-sharing SnLi4Tb4 tetrahedra.

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Materials Data on TbClO2 by Materials Project

TbO2Cl crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Tb is bonded in a 4-coordinate geometry to six O and three equivalent Cl atoms. There are a spread of Tb–O bond distances ranging from 2.22–2.72 Å. There are two shorter (2.81 Å) and one longer (2.91 Å) Tb–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Tb atoms. In the second O site, O is bonded in a distorted single-bond geometry to three equivalent Tb and two equivalent O atoms. Both O–O bond lengths are 1.90 Å. Cl is bonded in a distorted trigonal non-coplanar geometry to three equivalent Tb atoms.

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Materials Data on TbFeGe2 by Materials Project

TbFeGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to four equivalent Fe and ten Ge atoms. All Tb–Fe bond lengths are 3.25 Å. There are a spread of Tb–Ge bond distances ranging from 3.10–3.22 Å. Fe is bonded in a 5-coordinate geometry to four equivalent Tb and five Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.29–2.38 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 Fe, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.59 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Tb and four equivalent Fe atoms.

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Materials Data on Tb2SeOF2 by Materials Project

Tb2SeOF2 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 4-coordinate geometry to four equivalent Se2-, three equivalent O2-, and one F1- atom. There are two shorter (3.05 Å) and two longer (3.06 Å) Tb–Se bond lengths. There are one shorter (2.27 Å) and two longer (2.29 Å) Tb–O bond lengths. The Tb–F bond length is 2.44 Å. In the second Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to two equivalent Se2-, one O2-, and six F1- atoms. Both Tb–Se bond lengths are 3.07 Å. The Tb–O bond length is 2.28 Å. There are a spread of Tb–F bond distances ranging from 2.37–2.44 Å. Se2- is bonded in a 6-coordinate geometry to six Tb3+ atoms. O2- is bonded to four Tb3+ atoms to form distorted OTb4 tetrahedra that share corners with two equivalent OTb4 tetrahedra, corners with two equivalent FTb4 tetrahedra, edges with two equivalent OTb4 tetrahedra, and edges with two equivalent FTb4 tetrahedra. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal non-coplanar geometry to three equivalent Tb3+ atoms. In the second F1- site, F1- is bonded to four Tb3+ atoms to form distorted FTb4 tetrahedra that share corners with two equivalent OTb4 tetrahedra, corners with six equivalent FTb4 tetrahedra, and edges with two equivalent OTb4 tetrahedra.

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Materials Data on TbPa by Materials Project

PaTb crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Pa is bonded to six equivalent Pa and six equivalent Tb atoms to form PaTb6Pa6 cuboctahedra that share corners with eighteen equivalent PaTb6Pa6 cuboctahedra, edges with six equivalent PaTb6Pa6 cuboctahedra, edges with twelve equivalent TbTb6Pa6 cuboctahedra, faces with eight equivalent PaTb6Pa6 cuboctahedra, and faces with twelve equivalent TbTb6Pa6 cuboctahedra. All Pa–Pa bond lengths are 3.30 Å. All Pa–Tb bond lengths are 3.48 Å. Tb is bonded to six equivalent Pa and six equivalent Tb atoms to form TbTb6Pa6 cuboctahedra that share corners with eighteen equivalent TbTb6Pa6 cuboctahedra, edges with six equivalent TbTb6Pa6 cuboctahedra, edges with twelve equivalent PaTb6Pa6 cuboctahedra, faces with eight equivalent TbTb6Pa6 cuboctahedra, and faces with twelve equivalent PaTb6Pa6 cuboctahedra. All Tb–Tb bond lengths are 3.30 Å.

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Materials Data on Tb2Mn3Sb3O14 by Materials Project

Tb2Mn3Sb3O14 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb+3.50+ is bonded to eight O2- atoms to form distorted TbO8 hexagonal bipyramids that share edges with two equivalent TbO8 hexagonal bipyramids, edges with two equivalent MnO8 hexagonal bipyramids, edges with two equivalent MnO6 octahedra, and edges with four SbO6 octahedra. There are a spread of Tb–O bond distances ranging from 2.29–2.53 Å. There are three inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six SbO6 octahedra and edges with four equivalent TbO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 49–54°. There are four shorter (1.98 Å) and two longer (2.15 Å) Mn–O bond lengths. In the second Mn2+ site, Mn2+ is bonded to eight O2- atoms to form distorted MnO8 hexagonal bipyramids that share edges with four equivalent TbO8 hexagonal bipyramids and edges with six SbO6 octahedra. There are a spread of Mn–O bond distances ranging from 2.13–2.61 Å. In the third Mn2+ site, Mn2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Mn–O bond distances ranging from 2.24–2.58 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent SbO6 octahedra, edges with two equivalent MnO8 hexagonal bipyramids, and edges with four equivalent TbO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 47–54°. There is two shorter (1.95 Å) and four longer (2.02 Å) Sb–O bond length. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four SbO6 octahedra, edges with two equivalent TbO8 hexagonal bipyramids, and edges with two equivalent MnO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 47–49°. There is two shorter (1.98 Å) and four longer (2.01 Å) Sb–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tb+3.50+ and two Mn2+ atoms to form OTb2Mn2 tetrahedra that share corners with six OTb2Mn2 tetrahedra and an edgeedge with one OTb2MnSb tetrahedra. In the second O2- site, O2- is bonded to two equivalent Tb+3.50+, one Mn2+, and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OTb2MnSb tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Mn2+ and two equivalent Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Tb+3.50+, two Mn2+, and one Sb5+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Tb+3.50+, one Mn2+, and two Sb5+ atoms.

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Materials Data on Tb3Tm by Materials Project

TmTb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Tb atoms to form TmTb12 cuboctahedra that share corners with twelve equivalent TmTb12 cuboctahedra, edges with twenty-four equivalent TbTb8Tm4 cuboctahedra, faces with six equivalent TmTb12 cuboctahedra, and faces with twelve equivalent TbTb8Tm4 cuboctahedra. All Tm–Tb bond lengths are 3.54 Å. Tb is bonded to four equivalent Tm and eight equivalent Tb atoms to form TbTb8Tm4 cuboctahedra that share corners with twelve equivalent TbTb8Tm4 cuboctahedra, edges with eight equivalent TmTb12 cuboctahedra, edges with sixteen equivalent TbTb8Tm4 cuboctahedra, faces with four equivalent TmTb12 cuboctahedra, and faces with fourteen equivalent TbTb8Tm4 cuboctahedra. All Tb–Tb bond lengths are 3.54 Å.

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