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Materials Data on Tb3Se2ClO8 by Materials Project

Tb3Se2O8Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to seven O2- and one Cl1- atom. There are a spread of Tb–O bond distances ranging from 2.22–2.77 Å. The Tb–Cl bond length is 3.04 Å. In the second Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to six O2- and one Cl1- atom. There are a spread of Tb–O bond distances ranging from 2.26–2.44 Å. The Tb–Cl bond length is 2.84 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.76 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Tb3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Tb3+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and one Se4+ atom. In the fourth O2- site, O2- is bonded to four Tb3+ atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra. Cl1- is bonded in a 1-coordinate geometry to three Tb3+ atoms.

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Materials Data on Tb3Si2S8I by Materials Project

Tb3Si2S8I crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 9-coordinate geometry to eight S2- and one I1- atom. There are a spread of Tb–S bond distances ranging from 2.86–3.03 Å. The Tb–I bond length is 3.48 Å. In the second Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to eight S2- and one I1- atom. There are a spread of Tb–S bond distances ranging from 2.84–3.42 Å. The Tb–I bond length is 3.12 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are three shorter (2.12 Å) and one longer (2.13 Å) Si–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Tb3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three Tb3+ and one Si4+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to three Tb3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to three Tb3+ and one Si4+ atom. I1- is bonded in a 1-coordinate geometry to three Tb3+ atoms.

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Materials Data on Tb4Ga12Pt by Materials Project

Tb4PtGa12 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Tb is bonded to twelve Ga atoms to form TbGa12 cuboctahedra that share corners with twelve equivalent TbGa12 cuboctahedra, faces with six equivalent TbGa12 cuboctahedra, and faces with two equivalent PtGa6 octahedra. There are six shorter (3.06 Å) and six longer (3.09 Å) Tb–Ga bond lengths. Pt is bonded to six equivalent Ga atoms to form PtGa6 octahedra that share faces with eight equivalent TbGa12 cuboctahedra. All Pt–Ga bond lengths are 2.57 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Tb, one Pt, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.79 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Tb and eight Ga atoms. All Ga–Ga bond lengths are 3.06 Å.

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Materials Data on TbCd3 by Materials Project

TbCd3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve Cd atoms. There are a spread of Tb–Cd bond distances ranging from 3.21–3.61 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 11-coordinate geometry to four equivalent Tb and seven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.03–3.35 Å. In the second Cd site, Cd is bonded in a 2-coordinate geometry to four equivalent Tb and eight equivalent Cd atoms.

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Materials Data on Tb4Ga12Pd by Materials Project

Tb4PdGa12 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Tb is bonded to twelve Ga atoms to form TbGa12 cuboctahedra that share corners with twelve equivalent TbGa12 cuboctahedra, faces with six equivalent TbGa12 cuboctahedra, and faces with two equivalent PdGa6 octahedra. There are six shorter (3.06 Å) and six longer (3.09 Å) Tb–Ga bond lengths. Pd is bonded to six equivalent Ga atoms to form PdGa6 octahedra that share faces with eight equivalent TbGa12 cuboctahedra. All Pd–Ga bond lengths are 2.57 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Tb, one Pd, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.80 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Tb and eight Ga atoms. All Ga–Ga bond lengths are 3.06 Å.

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Materials Data on TbFe2 by Materials Project

TbFe2 is Cubic Laves structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve Fe atoms. There are nine shorter (3.02 Å) and three longer (3.04 Å) Tb–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent Tb and six equivalent Fe atoms to form a mixture of edge, corner, and face-sharing FeTb6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.59 Å. In the second Fe site, Fe is bonded to six equivalent Tb and six Fe atoms to form a mixture of edge, corner, and face-sharing FeTb6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.58 Å.

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Materials Data on Tb2Sb5 by Materials Project

Tb2Sb5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are four inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 9-coordinate geometry to nine Sb+1.20- atoms. There are a spread of Tb–Sb bond distances ranging from 3.14–3.34 Å. In the second Tb3+ site, Tb3+ is bonded in a 9-coordinate geometry to ten Sb+1.20- atoms. There are a spread of Tb–Sb bond distances ranging from 3.19–3.89 Å. In the third Tb3+ site, Tb3+ is bonded in a 9-coordinate geometry to nine Sb+1.20- atoms. There are a spread of Tb–Sb bond distances ranging from 3.20–3.36 Å. In the fourth Tb3+ site, Tb3+ is bonded in a 9-coordinate geometry to nine Sb+1.20- atoms. There are a spread of Tb–Sb bond distances ranging from 3.12–3.36 Å. There are ten inequivalent Sb+1.20- sites. In the first Sb+1.20- site, Sb+1.20- is bonded in a 6-coordinate geometry to three Tb3+ and three Sb+1.20- atoms. There are one shorter (2.89 Å) and two longer (3.03 Å) Sb–Sb bond lengths. In the second Sb+1.20- site, Sb+1.20- is bonded in a 8-coordinate geometry to four Tb3+ and four Sb+1.20- atoms. Both Sb–Sb bond lengths are 3.16 Å. In the third Sb+1.20- site, Sb+1.20- is bonded in a 7-coordinate geometry to five Tb3+ and two equivalent Sb+1.20- atoms. In the fourth Sb+1.20- site, Sb+1.20- is bonded in a 6-coordinate geometry to three Tb3+ and three Sb+1.20- atoms. There are two shorter (2.95 Å) and one longer (3.45 Å) Sb–Sb bond lengths. In the fifth Sb+1.20- site, Sb+1.20- is bonded in a 7-coordinate geometry to three Tb3+ and four Sb+1.20- atoms. There are two shorter (2.99 Å) and two longer (3.20 Å) Sb–Sb bond lengths. In the sixth Sb+1.20- site, Sb+1.20- is bonded in a 8-coordinate geometry to four Tb3+ and four Sb+1.20- atoms. There are two shorter (2.99 Å) and two longer (3.08 Å) Sb–Sb bond lengths. In the seventh Sb+1.20- site, Sb+1.20- is bonded in a 8-coordinate geometry to four Tb3+ and four Sb+1.20- atoms. In the eighth Sb+1.20- site, Sb+1.20- is bonded in a 8-coordinate geometry to four Tb3+ and four Sb+1.20- atoms. Both Sb–Sb bond lengths are 3.21 Å. In the ninth Sb+1.20- site, Sb+1.20- is bonded to six Tb3+ atoms to form distorted face-sharing SbTb6 pentagonal pyramids. In the tenth Sb+1.20- site, Sb+1.20- is bonded in a 7-coordinate geometry to one Tb3+ and six Sb+1.20- atoms. Both Sb–Sb bond lengths are 3.46 Å.

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Materials Data on TbCeO4 by Materials Project

TbCeO4 is Fluorite-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Tb4+ sites. In the first Tb4+ site, Tb4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.34–2.41 Å. In the second Tb4+ site, Tb4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.33–2.42 Å. In the third Tb4+ site, Tb4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.35–2.41 Å. In the fourth Tb4+ site, Tb4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.34–2.40 Å. There are four inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.34–2.39 Å. In the second Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.33–2.38 Å. In the third Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.33–2.38 Å. In the fourth Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.33–2.38 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded to two Tb4+ and two Ce4+ atoms to form OTb2Ce2 tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OTb2Ce2 tetrahedra. In the second O2- site, O2- is bonded to two Tb4+ and two Ce4+ atoms to form a mixture of edge and corner-sharing OTb2Ce2 tetrahedra. In the third O2- site, O2- is bonded to two Tb4+ and two Ce4+ atoms to form a mixture of edge and corner-sharing OTb2Ce2 tetrahedra. In the fourth O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the fifth O2- site, O2- is bonded to four Tb4+ atoms to form a mixture of edge and corner-sharing OTb4 tetrahedra. In the sixth O2- site, O2- is bonded to two Tb4+ and two Ce4+ atoms to form a mixture of edge and corner-sharing OTb2Ce2 tetrahedra. In the seventh O2- site, O2- is bonded to two Tb4+ and two Ce4+ atoms to form a mixture of edge and corner-sharing OTb2Ce2 tetrahedra. In the eighth O2- site, O2- is bonded to two Tb4+ and two Ce4+ atoms to form a mixture of edge and corner-sharing OTb2Ce2 tetrahedra. In the ninth O2- site, O2- is bonded to two Tb4+ and two Ce4+ atoms to form a mixture of edge and corner-sharing OTb2Ce2 tetrahedra. In the tenth O2- site, O2- is bonded to four Tb4+ atoms to form a mixture of edge and corner-sharing OTb4 tetrahedra. In the eleventh O2- site, O2- is bonded to two Tb4+ and two Ce4+ atoms to form OTb2Ce2 tetrahedra that share corners with sixteen OTb2Ce2 tetrahedra and edges with six OCe4 tetrahedra. In the twelfth O2- site, O2- is bonded to two Tb4+ and two Ce4+ atoms to form a mixture of edge and corner-sharing OTb2Ce2 tetrahedra. In the thirteenth O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the fourteenth O2- site, O2- is bonded to two Tb4+ and two Ce4+ atoms to form OTb2Ce2 tetrahedra that share corners with sixteen OTb2Ce2 tetrahedra and edges with six OCe4 tetrahedra. In the fifteenth O2- site, O2- is bonded to two Tb4+ and two Ce4+ atoms to form a mixture of edge and corner-sharing OTb2Ce2 tetrahedra. In the sixteenth O2- site, O2- is bonded to two Tb4+ and two Ce4+ atoms to form OTb2Ce2 tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OTb2Ce2 tetrahedra.

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Materials Data on Tb4Nb4O11 by Materials Project

Tb4Nb4O11 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are four inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to seven O2- atoms to form distorted TbO7 pentagonal bipyramids that share edges with three TbO7 pentagonal bipyramids and edges with two equivalent NbO5 square pyramids. There are a spread of Tb–O bond distances ranging from 2.27–2.46 Å. In the second 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 2.28–2.67 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 2.26–2.77 Å. In the fourth Tb3+ site, Tb3+ is bonded to seven O2- atoms to form distorted TbO7 pentagonal bipyramids that share edges with two equivalent TbO7 pentagonal bipyramids and edges with two equivalent NbO5 square pyramids. There are a spread of Tb–O bond distances ranging from 2.33–2.41 Å. There are three inequivalent Nb+2.50+ sites. In the first Nb+2.50+ site, Nb+2.50+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Nb–O bond distances ranging from 2.15–2.19 Å. In the second Nb+2.50+ site, Nb+2.50+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are one shorter (2.17 Å) and three longer (2.19 Å) Nb–O bond lengths. In the third Nb+2.50+ site, Nb+2.50+ is bonded to five O2- atoms to form NbO5 square pyramids that share edges with two TbO7 pentagonal bipyramids and edges with two equivalent NbO5 square pyramids. There are a spread of Nb–O bond distances ranging from 2.09–2.13 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to four Tb3+ atoms to form distorted OTb4 tetrahedra that share corners with eight OTb4 tetrahedra, corners with four equivalent OTb3Nb2 trigonal bipyramids, and edges with four OTb4 tetrahedra. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Tb3+ and three Nb+2.50+ atoms. In the third O2- site, O2- is bonded to four Tb3+ atoms to form OTb4 tetrahedra that share corners with six OTb4 tetrahedra, corners with four equivalent OTb3Nb2 trigonal bipyramids, edges with four OTb4 tetrahedra, and an edgeedge with one OTb3Nb2 trigonal bipyramid. In the fourth O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Tb3+ and three Nb+2.50+ atoms. In the fifth O2- site, O2- is bonded to three Tb3+ and two Nb+2.50+ atoms to form distorted OTb3Nb2 trigonal bipyramids that share corners with eight OTb4 tetrahedra, edges with two OTb4 tetrahedra, an edgeedge with one OTb3Nb2 trigonal bipyramid, and a faceface with one OTb3Nb2 trigonal bipyramid. In the sixth O2- site, O2- is bonded to three Tb3+ and one Nb+2.50+ atom to form distorted OTb3Nb tetrahedra that share corners with seven OTb4 tetrahedra, corners with two equivalent OTb3Nb2 trigonal bipyramids, edges with two OTb4 tetrahedra, and an edgeedge with one OTb3Nb2 trigonal bipyramid. In the seventh O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Tb3+ and three Nb+2.50+ atoms. In the eighth O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Tb3+ and three Nb+2.50+ atoms.

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Materials Data on TbY3 by Materials Project

TbY3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded to twelve Y atoms to form TbY12 cuboctahedra that share corners with four equivalent TbY12 cuboctahedra, corners with eight equivalent YTb4Y8 cuboctahedra, edges with eight equivalent TbY12 cuboctahedra, edges with sixteen equivalent YTb4Y8 cuboctahedra, faces with four equivalent TbY12 cuboctahedra, and faces with fourteen YTb4Y8 cuboctahedra. All Tb–Y bond lengths are 3.58 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Tb and eight Y atoms to form YTb4Y8 cuboctahedra that share corners with twelve equivalent YTb4Y8 cuboctahedra, edges with eight equivalent TbY12 cuboctahedra, edges with sixteen YTb4Y8 cuboctahedra, faces with four equivalent TbY12 cuboctahedra, and faces with fourteen YTb4Y8 cuboctahedra. All Y–Y bond lengths are 3.58 Å. In the second Y site, Y is bonded to four equivalent Tb and eight equivalent Y atoms to form YTb4Y8 cuboctahedra that share corners with four equivalent YTb4Y8 cuboctahedra, corners with eight equivalent TbY12 cuboctahedra, edges with twenty-four YTb4Y8 cuboctahedra, faces with six equivalent TbY12 cuboctahedra, and faces with twelve YTb4Y8 cuboctahedra.

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Materials Data on TbAg3 by Materials Project

Ag3Tb is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded to twelve Ag atoms to form TbAg12 cuboctahedra that share corners with four equivalent TbAg12 cuboctahedra, corners with eight equivalent AgTb4Ag8 cuboctahedra, edges with eight equivalent TbAg12 cuboctahedra, faces with four equivalent TbAg12 cuboctahedra, and faces with six equivalent AgTb4Ag8 cuboctahedra. There are eight shorter (3.04 Å) and four longer (3.21 Å) Tb–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to four equivalent Tb and four equivalent Ag atoms. All Ag–Ag bond lengths are 3.04 Å. In the second Ag site, Ag is bonded to four equivalent Tb and eight equivalent Ag atoms to form AgTb4Ag8 cuboctahedra that share corners with four equivalent AgTb4Ag8 cuboctahedra, corners with eight equivalent TbAg12 cuboctahedra, edges with eight equivalent AgTb4Ag8 cuboctahedra, faces with four equivalent AgTb4Ag8 cuboctahedra, and faces with six equivalent TbAg12 cuboctahedra.

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Materials Data on Tb2S2O by Materials Project

Tb2S2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to four S2- and three equivalent O2- atoms. There are a spread of Tb–S bond distances ranging from 2.80–3.18 Å. There are two shorter (2.28 Å) and one longer (2.30 Å) Tb–O bond lengths. In the second Tb3+ site, Tb3+ is bonded in a 1-coordinate geometry to six S2- and one O2- atom. There are a spread of Tb–S bond distances ranging from 2.77–2.96 Å. The Tb–O bond length is 2.27 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Tb3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to five Tb3+ atoms. O2- is bonded to four Tb3+ atoms to form a mixture of edge and corner-sharing OTb4 tetrahedra.

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Materials Data on TbGa5Co by Materials Project

TbCoGa5 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 four shorter (2.98 Å) and eight longer (2.99 Å) Tb–Ga bond lengths. Co is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Co–Ga bond lengths are 2.47 Å. There are two 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 2.58–2.99 Å. In the second Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Tb and eight equivalent Ga atoms.

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Materials Data on TbGdAl6 by Materials Project

TbGdAl6 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tb is bonded to twelve Al atoms to form distorted TbAl12 cuboctahedra that share corners with six equivalent TbAl12 cuboctahedra, faces with two equivalent TbAl12 cuboctahedra, and faces with six equivalent GdAl12 cuboctahedra. There are six shorter (3.08 Å) and six longer (3.16 Å) Tb–Al bond lengths. Gd is bonded to twelve Al atoms to form distorted GdAl12 cuboctahedra that share corners with six equivalent GdAl12 cuboctahedra, faces with two equivalent GdAl12 cuboctahedra, and faces with six equivalent TbAl12 cuboctahedra. There are six shorter (3.08 Å) and six longer (3.16 Å) Gd–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to two equivalent Tb, two equivalent Gd, and six Al atoms. There are two shorter (2.77 Å) and four longer (2.81 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to two equivalent Tb, two equivalent Gd, and six Al atoms. Both Al–Al bond lengths are 2.78 Å.

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Materials Data on TbGe5 by Materials Project

TbGe5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tb is bonded in a 10-coordinate geometry to fourteen Ge atoms. There are a spread of Tb–Ge bond distances ranging from 3.09–3.51 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to three equivalent Tb and five Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.57–2.90 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Tb and eight equivalent Ge atoms.

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Materials Data on Tb2Y2O5 by Materials Project

Tb2Y2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tb is bonded in a 5-coordinate geometry to five O atoms. There are four shorter (2.17 Å) and one longer (2.60 Å) Tb–O bond lengths. There are two inequivalent Y sites. In the first Y site, Y is bonded in a body-centered cubic geometry to eight equivalent O atoms. All Y–O bond lengths are 2.40 Å. In the second Y site, Y is bonded in a square co-planar geometry to four equivalent O atoms. All Y–O bond lengths are 2.76 Å. There are two inequivalent O sites. In the first O site, O is bonded to two equivalent Tb and two equivalent Y atoms to form OTb2Y2 tetrahedra that share corners with two equivalent OTb2Y4 octahedra, corners with ten equivalent OTb2Y2 tetrahedra, and edges with five equivalent OTb2Y2 tetrahedra. The corner-sharing octahedral tilt angles are 64°. In the second O site, O is bonded to two equivalent Tb and four equivalent Y atoms to form OTb2Y4 octahedra that share corners with four equivalent OTb2Y4 octahedra, corners with eight equivalent OTb2Y2 tetrahedra, and edges with four equivalent OTb2Y4 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on TbCo9Si2 by Materials Project

TbCo9Si2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to eighteen Co atoms. There are a spread of Tb–Co bond distances ranging from 3.01–3.13 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 6-coordinate geometry to two equivalent Tb, eight equivalent Co, and four equivalent Si atoms. All Co–Co bond lengths are 2.61 Å. All Co–Si bond lengths are 2.54 Å. In the second Co site, Co is bonded to two equivalent Tb, eight Co, and two equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing CoTb2Co8Si2 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.38–2.66 Å. There are one shorter (2.35 Å) and one longer (2.37 Å) Co–Si bond lengths. Si is bonded in a 10-coordinate geometry to ten Co atoms.

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Materials Data on TbMgTl by Materials Project

MgTbTl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to four Tl atoms. There are two shorter (2.93 Å) and two longer (2.99 Å) Mg–Tl bond lengths. Tb is bonded in a 5-coordinate geometry to five Tl atoms. All Tb–Tl bond lengths are 3.26 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a distorted q6 geometry to six equivalent Mg and three equivalent Tb atoms. In the second Tl site, Tl is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Tb atoms.

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