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Materials Data on Tb3TaO7 by Materials Project

Tb3TaO7 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to seven O2- atoms to form distorted TbO7 pentagonal bipyramids that share corners with two equivalent TaO6 octahedra, a cornercorner with one TbO7 pentagonal bipyramid, edges with two equivalent TaO6 octahedra, and edges with three equivalent TbO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 42–49°. There are a spread of Tb–O bond distances ranging from 2.23–2.49 Å. In the second 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 2.34–2.92 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with two equivalent TaO6 octahedra, corners with four equivalent TbO7 pentagonal bipyramids, and edges with four equivalent TbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are a spread of Ta–O bond distances ranging from 1.95–2.03 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tb3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded to four Tb3+ atoms to form a mixture of edge and corner-sharing OTb4 tetrahedra. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Tb3+ and one Ta5+ atom. In the fourth O2- site, O2- is bonded to four Tb3+ atoms to form a mixture of edge and corner-sharing OTb4 tetrahedra. In the fifth O2- site, O2- is bonded to three Tb3+ and one Ta5+ atom to form a mixture of distorted edge and corner-sharing OTb3Ta tetrahedra.

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Materials Data on Tb2Si4CN6 by Materials Project

Tb2Si4CN6 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 to six N3- atoms to form distorted TbN6 pentagonal pyramids that share corners with ten SiCN3 tetrahedra, an edgeedge with one TbN6 pentagonal pyramid, and an edgeedge with one SiCN3 tetrahedra. There are a spread of Tb–N bond distances ranging from 2.36–2.63 Å. In the second Tb3+ site, Tb3+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Tb–N bond distances ranging from 2.34–2.98 Å. There are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to one C4- and three N3- atoms to form SiCN3 tetrahedra that share corners with two equivalent TbN6 pentagonal pyramids and corners with six SiCN3 tetrahedra. The Si–C bond length is 1.92 Å. There are a spread of Si–N bond distances ranging from 1.73–1.77 Å. In the second Si4+ site, Si4+ is bonded to one C4- and three N3- atoms to form SiCN3 tetrahedra that share corners with two equivalent TbN6 pentagonal pyramids, corners with six SiCN3 tetrahedra, and an edgeedge with one TbN6 pentagonal pyramid. The Si–C bond length is 1.91 Å. There are a spread of Si–N bond distances ranging from 1.75–1.77 Å. In the third Si4+ site, Si4+ is bonded to one C4- and three N3- atoms to form SiCN3 tetrahedra that share corners with three equivalent TbN6 pentagonal pyramids and corners with six SiCN3 tetrahedra. The Si–C bond length is 1.88 Å. There is two shorter (1.75 Å) and one longer (1.76 Å) Si–N bond length. In the fourth Si4+ site, Si4+ is bonded to one C4- and three N3- atoms to form SiCN3 tetrahedra that share corners with three equivalent TbN6 pentagonal pyramids and corners with six SiCN3 tetrahedra. The Si–C bond length is 1.91 Å. There are a spread of Si–N bond distances ranging from 1.73–1.76 Å. C4- is bonded to four Si4+ atoms to form CSi4 tetrahedra that share corners with six NTb2Si2 tetrahedra and corners with four NTb2Si2 trigonal pyramids. There are six inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Tb3+ and two Si4+ atoms to form distorted NTb2Si2 tetrahedra that share corners with two equivalent CSi4 tetrahedra, corners with four NTb2Si2 tetrahedra, corners with four NTb2Si2 trigonal pyramids, an edgeedge with one NTb2Si2 tetrahedra, and an edgeedge with one NTb2Si2 trigonal pyramid. In the second N3- site, N3- is bonded to two Tb3+ and two Si4+ atoms to form distorted NTb2Si2 tetrahedra that share corners with two equivalent CSi4 tetrahedra, corners with six NTb2Si2 tetrahedra, corners with three NTb2Si2 trigonal pyramids, and an edgeedge with one NTb2Si2 trigonal pyramid. In the third N3- site, N3- is bonded to two Tb3+ and two Si4+ atoms to form distorted NTb2Si2 trigonal pyramids that share corners with two equivalent CSi4 tetrahedra, corners with six NTb2Si2 tetrahedra, a cornercorner with one NTb2Si2 trigonal pyramid, an edgeedge with one NTb2Si2 tetrahedra, and an edgeedge with one NTb2Si2 trigonal pyramid. In the fourth N3- site, N3- is bonded to two Tb3+ and two Si4+ atoms to form distorted NTb2Si2 trigonal pyramids that share corners with two equivalent CSi4 tetrahedra, corners with six NTb2Si2 tetrahedra, a cornercorner with one NTb2Si2 trigonal pyramid, an edgeedge with one NTb2Si2 tetrahedra, and an edgeedge with one NTb2Si2 trigonal pyramid. In the fifth N3- site, N3- is bonded in a distorted trigonal planar geometry to two Tb3+ and two Si4+ atoms. In the sixth N3- site, N3- is bonded to two equivalent Tb3+ and two Si4+ atoms to form distorted NTb2Si2 tetrahedra that share corners with two equivalent CSi4 tetrahedra, corners with four NTb2Si2 tetrahedra, corners with five NTb2Si2 trigonal pyramids, and an edgeedge with one NTb2Si2 tetrahedra.

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Materials Data on TbFe2SiC by Materials Project

TbFe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb3+ is bonded in a 7-coordinate geometry to three equivalent Si4- and four equivalent C4- atoms. There are one shorter (2.93 Å) and two longer (2.97 Å) Tb–Si bond lengths. All Tb–C bond lengths are 2.59 Å. Fe+2.50+ is bonded in a single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.37 Å) and one longer (2.38 Å) Fe–Si bond lengths. The Fe–C bond length is 1.78 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Tb3+ and six equivalent Fe+2.50+ atoms. C4- is bonded to four equivalent Tb3+ and two equivalent Fe+2.50+ atoms to form a mixture of edge and corner-sharing CTb4Fe2 octahedra. The corner-sharing octahedral tilt angles are 24°.

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Materials Data on TbCr2Si2C by Materials Project

TbCr2Si2C crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tb3+ is bonded in a distorted linear geometry to eight equivalent Si4- and two equivalent C4- atoms. All Tb–Si bond lengths are 3.05 Å. Both Tb–C bond lengths are 2.63 Å. Cr+4.50+ is bonded in a distorted linear geometry to four equivalent Si4- and two equivalent C4- atoms. All Cr–Si bond lengths are 2.44 Å. Both Cr–C bond lengths are 1.98 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Tb3+, four equivalent Cr+4.50+, and one Si4- atom. The Si–Si bond length is 2.41 Å. C4- is bonded to two equivalent Tb3+ and four equivalent Cr+4.50+ atoms to form corner-sharing CTb2Cr4 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on Tb10Mn13C18 by Materials Project

Mn(Tb5(Mn2C3)3)2 crystallizes in the cubic I-43m space group. The structure is three-dimensional and consists of two manganese molecules and one Tb5(Mn2C3)3 framework. In the Tb5(Mn2C3)3 framework, there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to eight C+3.11- atoms to form distorted TbC8 hexagonal bipyramids that share edges with two equivalent TbC8 hexagonal bipyramids, edges with four equivalent TbC6 pentagonal pyramids, and faces with four equivalent TbC8 hexagonal bipyramids. There are four shorter (2.49 Å) and four longer (2.62 Å) Tb–C bond lengths. In the second Tb3+ site, Tb3+ is bonded to six equivalent C+3.11- atoms to form distorted TbC6 pentagonal pyramids that share corners with six equivalent TbC6 pentagonal pyramids and edges with six equivalent TbC8 hexagonal bipyramids. There are three shorter (2.57 Å) and three longer (2.66 Å) Tb–C bond lengths. Mn2+ is bonded in a distorted trigonal non-coplanar geometry to three C+3.11- atoms. There is two shorter (1.86 Å) and one longer (2.08 Å) Mn–C bond length. There are two inequivalent C+3.11- sites. In the first C+3.11- site, C+3.11- is bonded to four Tb3+ and two equivalent Mn2+ atoms to form a mixture of distorted edge and corner-sharing CTb4Mn2 octahedra. The corner-sharing octahedra tilt angles range from 3–69°. In the second C+3.11- site, C+3.11- is bonded in a 7-coordinate geometry to four equivalent Tb3+, two equivalent Mn2+, and one C+3.11- atom. The C–C bond length is 1.38 Å.

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Materials Data on Cs2TbO3 by Materials Project

Cs2TbO3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 2.99–3.34 Å. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 2.98–3.35 Å. There are two inequivalent Tb4+ sites. In the first Tb4+ site, Tb4+ is bonded to five O2- atoms to form distorted edge-sharing TbO5 trigonal bipyramids. There are a spread of Tb–O bond distances ranging from 2.13–2.28 Å. In the second Tb4+ site, Tb4+ is bonded to five O2- atoms to form distorted edge-sharing TbO5 trigonal bipyramids. There are a spread of Tb–O bond distances ranging from 2.13–2.28 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four Cs1+ and one Tb4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Cs1+ and one Tb4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four Cs1+ and two Tb4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to four Cs1+ and two Tb4+ atoms.

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Materials Data on TbAsSe by Materials Project

TbAsSe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb3+ is bonded in a 9-coordinate geometry to four equivalent As1- and five equivalent Se2- atoms. There are a spread of Tb–As bond distances ranging from 3.08–3.18 Å. There are four shorter (2.91 Å) and one longer (3.05 Å) Tb–Se bond lengths. As1- is bonded in a 8-coordinate geometry to four equivalent Tb3+ and four equivalent As1- atoms. There are two shorter (2.59 Å) and two longer (3.00 Å) As–As bond lengths. Se2- is bonded in a 5-coordinate geometry to five equivalent Tb3+ atoms.

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Materials Data on KTbH(SO4)2 by Materials Project

KTbH(SO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.66–3.24 Å. Tb4+ is bonded in a 7-coordinate geometry to one H1+ and seven O2- atoms. The Tb–H bond length is 2.76 Å. There are a spread of Tb–O bond distances ranging from 2.26–2.45 Å. H1+ is bonded in a single-bond geometry to one Tb4+ atom. There are two inequivalent S5+ sites. In the first S5+ site, S5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. In the second S5+ site, S5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.50 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Tb4+, and one S5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Tb4+, and one S5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Tb4+, and one S5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Tb4+, and one S5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+, one Tb4+, and one S5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and one S5+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Tb4+, and one S5+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+, one Tb4+, and one S5+ atom.

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Materials Data on TbOF by Materials Project

TbOF is beta Vanadium nitride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb3+ is bonded to three equivalent O2- and three equivalent F1- atoms to form a mixture of distorted edge and corner-sharing TbO3F3 octahedra. The corner-sharing octahedra tilt angles range from 22–34°. There are a spread of Tb–O bond distances ranging from 2.17–2.22 Å. There are two shorter (2.30 Å) and one longer (2.45 Å) Tb–F bond lengths. O2- is bonded in a distorted T-shaped geometry to three equivalent Tb3+ atoms. F1- is bonded in a 3-coordinate geometry to three equivalent Tb3+ atoms.

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Materials Data on Tb2SiO5 by Materials Project

Tb2SiO5 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 9-coordinate geometry to nine O2- atoms. There are a spread of Tb–O bond distances ranging from 2.28–2.77 Å. In the second Tb3+ site, Tb3+ is bonded to seven O2- atoms to form distorted TbO7 hexagonal pyramids that share corners with two equivalent SiO4 tetrahedra, edges with six equivalent TbO7 hexagonal pyramids, and an edgeedge with one SiO4 tetrahedra. There are a spread of Tb–O bond distances ranging from 2.29–2.55 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent TbO7 hexagonal pyramids and an edgeedge with one TbO7 hexagonal pyramid. There are a spread of Si–O bond distances ranging from 1.61–1.66 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Tb3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Tb3+ and one Si4+ atom. In the third O2- site, O2- is bonded to four Tb3+ atoms to form a mixture of edge and corner-sharing OTb4 tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Tb3+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Tb3+ and one Si4+ atom.

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Materials Data on Tb2ReB6 by Materials Project

Tb2ReB6 crystallizes in the orthorhombic Pbam 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 fourteen B2- atoms. There are a spread of Tb–B bond distances ranging from 2.76–2.83 Å. In the second Tb3+ site, Tb3+ is bonded to twelve B2- atoms to form a mixture of edge and face-sharing TbB12 cuboctahedra. There are a spread of Tb–B bond distances ranging from 2.61–2.65 Å. Re6+ is bonded in a 10-coordinate geometry to ten B2- atoms. There are a spread of Re–B bond distances ranging from 2.36–2.42 Å. There are six inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to six Tb3+ and three B2- atoms. There are a spread of B–B bond distances ranging from 1.85–2.02 Å. In the second B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Tb3+, two equivalent Re6+, and three B2- atoms. There are a spread of B–B bond distances ranging from 1.80–1.85 Å. In the third B2- site, B2- is bonded in a 9-coordinate geometry to four Tb3+, two equivalent Re6+, and three B2- atoms. The B–B bond length is 1.82 Å. In the fourth B2- site, B2- is bonded in a 9-coordinate geometry to four Tb3+, two equivalent Re6+, and three B2- atoms. There is one shorter (1.74 Å) and one longer (1.87 Å) B–B bond length. In the fifth B2- site, B2- is bonded in a 9-coordinate geometry to four Tb3+, two equivalent Re6+, and three B2- atoms. The B–B bond length is 1.80 Å. In the sixth B2- site, B2- is bonded in a 9-coordinate geometry to four Tb3+, two equivalent Re6+, and three B2- atoms.

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Materials Data on Tb3OsO7 by Materials Project

Tb3OsO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.34 Å) and four longer (2.66 Å) Tb–O bond lengths. In the second Tb3+ site, Tb3+ is bonded to seven O2- atoms to form distorted TbO7 pentagonal bipyramids that share corners with two equivalent OsO6 octahedra, corners with three equivalent TbO7 pentagonal bipyramids, edges with two equivalent OsO6 octahedra, and edges with two equivalent TbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 44°. There are a spread of Tb–O bond distances ranging from 2.25–2.79 Å. Os5+ is bonded to six O2- atoms to form OsO6 octahedra that share corners with two equivalent OsO6 octahedra, corners with four equivalent TbO7 pentagonal bipyramids, and edges with four equivalent TbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 20°. There is two shorter (1.88 Å) and four longer (2.00 Å) Os–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Tb3+ and one Os5+ atom. In the second O2- site, O2- is bonded to four Tb3+ atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Tb3+ and two equivalent Os5+ atoms.

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Materials Data on TbSBr by Materials Project

TbSBr is Baddeleyite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tb3+ is bonded to four equivalent S2- and three equivalent Br1- atoms to form a mixture of distorted corner and edge-sharing TbS4Br3 pentagonal bipyramids. There are a spread of Tb–S bond distances ranging from 2.74–2.76 Å. There are a spread of Tb–Br bond distances ranging from 2.95–3.11 Å. S2- is bonded to four equivalent Tb3+ atoms to form a mixture of distorted corner and edge-sharing STb4 tetrahedra. Br1- is bonded in a 3-coordinate geometry to three equivalent Tb3+ atoms.

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Materials Data on Tb3SbO7 by Materials Project

Tb3SbO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.34–2.65 Å. In the second Tb3+ site, Tb3+ is bonded to seven O2- atoms to form distorted TbO7 pentagonal bipyramids that share corners with two equivalent SbO6 octahedra, a cornercorner with one TbO7 pentagonal bipyramid, edges with two equivalent SbO6 octahedra, and edges with three equivalent TbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. There are a spread of Tb–O bond distances ranging from 2.23–2.48 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent TbO7 pentagonal bipyramids, and edges with four equivalent TbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 43°. There are four shorter (2.00 Å) and two longer (2.03 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Tb3+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tb3+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded to four Tb3+ atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra. In the fourth O2- site, O2- is bonded to four Tb3+ atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra.

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Materials Data on TbFeAsO by Materials Project

TbOFeAs is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Tb3+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Tb–As bond lengths are 3.31 Å. All Tb–O bond lengths are 2.27 Å. Fe2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.61 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Tb3+ and four equivalent Fe2+ atoms. O2- is bonded to four equivalent Tb3+ atoms to form a mixture of edge and corner-sharing OTb4 tetrahedra.

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Materials Data on Na2TbO3 by Materials Project

Na2TbO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four TbO6 octahedra, edges with four TbO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 8–10°. There are a spread of Na–O bond distances ranging from 2.39–2.61 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four TbO6 octahedra, edges with four TbO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 8–10°. There are a spread of Na–O bond distances ranging from 2.43–2.66 Å. In the third Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with six NaO6 octahedra, edges with six NaO6 octahedra, and edges with six TbO6 octahedra. The corner-sharing octahedral tilt angles are 10°. There are four shorter (2.50 Å) and two longer (2.53 Å) Na–O bond lengths. There are two inequivalent Tb4+ sites. In the first Tb4+ site, Tb4+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with six NaO6 octahedra, edges with three equivalent TbO6 octahedra, and edges with nine NaO6 octahedra. The corner-sharing octahedra tilt angles range from 8–10°. There are two shorter (2.28 Å) and four longer (2.29 Å) Tb–O bond lengths. In the second Tb4+ site, Tb4+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with six NaO6 octahedra, edges with three equivalent TbO6 octahedra, and edges with nine NaO6 octahedra. The corner-sharing octahedra tilt angles range from 8–10°. There are two shorter (2.28 Å) and four longer (2.29 Å) Tb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Na1+ and two Tb4+ atoms to form a mixture of corner and edge-sharing ONa4Tb2 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. In the second O2- site, O2- is bonded to four Na1+ and two Tb4+ atoms to form a mixture of corner and edge-sharing ONa4Tb2 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. In the third O2- site, O2- is bonded to four Na1+ and two Tb4+ atoms to form a mixture of corner and edge-sharing ONa4Tb2 octahedra. The corner-sharing octahedra tilt angles range from 0–10°.

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Materials Data on TbSiRu2C by Materials Project

TbRu2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb3+ is bonded in a 4-coordinate geometry to three equivalent Si4- and four equivalent C4- atoms. There are one shorter (3.10 Å) and two longer (3.11 Å) Tb–Si bond lengths. All Tb–C bond lengths are 2.67 Å. Ru+2.50+ is bonded to three equivalent Si4- and one C4- atom to form a mixture of distorted edge and corner-sharing RuSi3C tetrahedra. There are two shorter (2.48 Å) and one longer (2.49 Å) Ru–Si bond lengths. The Ru–C bond length is 1.87 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Tb3+ and six equivalent Ru+2.50+ atoms. C4- is bonded to four equivalent Tb3+ and two equivalent Ru+2.50+ atoms to form a mixture of edge and corner-sharing CTb4Ru2 octahedra. The corner-sharing octahedral tilt angles are 22°.

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Materials Data on Tb2CoSi2 by Materials Project

Tb2CoSi2 crystallizes in the monoclinic C2/m 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 seven Si4- atoms. There are a spread of Tb–Si bond distances ranging from 2.88–3.26 Å. In the second Tb3+ site, Tb3+ is bonded to six Si4- atoms to form distorted TbSi6 pentagonal pyramids that share corners with four equivalent TbSi6 pentagonal pyramids, corners with four equivalent CoSi4 tetrahedra, edges with six equivalent TbSi6 pentagonal pyramids, edges with two equivalent CoSi4 tetrahedra, and a faceface with one TbSi6 pentagonal pyramid. There are a spread of Tb–Si bond distances ranging from 2.86–3.13 Å. Co2+ is bonded to four Si4- atoms to form CoSi4 tetrahedra that share corners with four equivalent TbSi6 pentagonal pyramids, corners with two equivalent CoSi4 tetrahedra, edges with two equivalent TbSi6 pentagonal pyramids, and edges with two equivalent CoSi4 tetrahedra. There are a spread of Co–Si bond distances ranging from 2.35–2.51 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to six Tb3+, three equivalent Co2+, and one Si4- atom. The Si–Si bond length is 2.78 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Tb3+, one Co2+, and one Si4- atom. The Si–Si bond length is 2.57 Å.

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