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Materials Data on Tb7CoI12 by Materials Project

Tb7CoI12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to six equivalent I atoms to form edge-sharing TbI6 octahedra. All Tb–I bond lengths are 3.06 Å. In the second Tb site, Tb is bonded to one Co and five I atoms to form distorted TbCoI5 octahedra that share corners with three equivalent TbCoI5 octahedra and edges with six TbI6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. The Tb–Co bond length is 2.63 Å. There are a spread of Tb–I bond distances ranging from 3.12–3.49 Å. Co is bonded in an octahedral geometry to six equivalent Tb atoms. There are two inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three Tb atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three equivalent Tb atoms.

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Materials Data on Tb3(P3Pd10)2 by Materials Project

Tb3(Pd10P3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to sixteen Pd atoms to form distorted TbPd16 tetrahedra that share edges with six equivalent TbPd16 tetrahedra and faces with four equivalent TbP6Pd12 cuboctahedra. There are four shorter (2.87 Å) and twelve longer (3.36 Å) Tb–Pd bond lengths. In the second Tb site, Tb is bonded to twelve equivalent Pd and six equivalent P atoms to form distorted face-sharing TbP6Pd12 cuboctahedra. All Tb–Pd bond lengths are 3.01 Å. All Tb–P bond lengths are 3.24 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to one Tb, six equivalent Pd, and three equivalent P atoms. All Pd–Pd bond lengths are 3.05 Å. All Pd–P bond lengths are 2.50 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to three Tb, nine Pd, and two equivalent P atoms. There are one shorter (2.68 Å) and four longer (3.01 Å) Pd–Pd bond lengths. Both Pd–P bond lengths are 2.40 Å. P is bonded in a 9-coordinate geometry to one Tb and eight Pd atoms.

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Materials Data on Tb7RhBr12 by Materials Project

Tb7RhBr12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to one Rh and five Br atoms to form a mixture of corner and edge-sharing TbRhBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. The Tb–Rh bond length is 2.68 Å. There are a spread of Tb–Br bond distances ranging from 2.91–3.14 Å. In the second Tb site, Tb is bonded to six equivalent Br atoms to form edge-sharing TbBr6 octahedra. All Tb–Br bond lengths are 2.83 Å. Rh is bonded in an octahedral geometry to six equivalent Tb atoms. There are two inequivalent Br sites. In the first Br site, Br is bonded in a T-shaped geometry to three equivalent Tb atoms. In the second Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms.

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Materials Data on Tb5Si3O13 by Materials Project

Tb5Si3O13 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Tb–O bond distances ranging from 2.22–2.78 Å. In the second Tb site, Tb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Tb–O bond distances ranging from 2.34–2.85 Å. Si is bonded in a tetrahedral geometry to four O atoms. There is one shorter (1.63 Å) and three longer (1.65 Å) Si–O bond length. There are four inequivalent O sites. In the first O site, O is bonded to three Tb and one Si atom to form distorted edge-sharing OTb3Si tetrahedra. In the second O site, O is bonded in a trigonal planar geometry to three equivalent Tb atoms. In the third O site, O is bonded in a 1-coordinate geometry to three Tb and one Si atom. In the fourth O site, O is bonded in a 1-coordinate geometry to three Tb and one Si atom.

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Materials Data on Tb2MnSbO7 by Materials Project

Tb2MnSbO7 crystallizes in the orthorhombic Imma 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 eight O2- atoms to form distorted TbO8 hexagonal bipyramids that share edges with two equivalent TbO8 hexagonal bipyramids, edges with two equivalent MnO6 octahedra, and edges with four equivalent SbO6 octahedra. There are a spread of Tb–O bond distances ranging from 2.22–2.53 Å. In the second Tb+3.50+ site, Tb+3.50+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.27–2.56 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with two equivalent TbO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 51–53°. There are two shorter (1.98 Å) and four longer (2.10 Å) Mn–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent MnO6 octahedra, and edges with four equivalent TbO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 47–53°. There are four shorter (1.99 Å) and two longer (2.04 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Tb+3.50+ atoms to form OTb4 tetrahedra that share corners with twelve OTb4 tetrahedra and edges with four equivalent OTb2MnSb tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tb+3.50+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tb+3.50+ and two equivalent Mn2+ atoms. In the fourth O2- site, O2- is bonded to two Tb+3.50+, one Mn2+, and one Sb5+ atom to form a mixture of distorted corner and edge-sharing OTb2MnSb tetrahedra.

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Materials Data on Tb3Dy by Materials Project

DyTb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded to twelve Tb atoms to form DyTb12 cuboctahedra that share corners with four equivalent DyTb12 cuboctahedra, corners with eight equivalent TbTb8Dy4 cuboctahedra, edges with eight equivalent DyTb12 cuboctahedra, edges with sixteen equivalent TbTb8Dy4 cuboctahedra, faces with four equivalent DyTb12 cuboctahedra, and faces with fourteen TbTb8Dy4 cuboctahedra. All Dy–Tb bond lengths are 3.56 Å. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Dy and eight Tb atoms to form TbTb8Dy4 cuboctahedra that share corners with twelve equivalent TbTb8Dy4 cuboctahedra, edges with eight equivalent DyTb12 cuboctahedra, edges with sixteen TbTb8Dy4 cuboctahedra, faces with four equivalent DyTb12 cuboctahedra, and faces with fourteen TbTb8Dy4 cuboctahedra. All Tb–Tb bond lengths are 3.56 Å. In the second Tb site, Tb is bonded to four equivalent Dy and eight equivalent Tb atoms to form TbTb8Dy4 cuboctahedra that share corners with four equivalent TbTb8Dy4 cuboctahedra, corners with eight equivalent DyTb12 cuboctahedra, edges with twenty-four TbTb8Dy4 cuboctahedra, faces with six equivalent DyTb12 cuboctahedra, and faces with twelve TbTb8Dy4 cuboctahedra.

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Materials Data on Tb2CuPt by Materials Project

Tb2PtCu crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 7-coordinate geometry to three equivalent Pt and four equivalent Cu atoms. There are one shorter (2.94 Å) and two longer (2.97 Å) Tb–Pt bond lengths. There are two shorter (2.99 Å) and two longer (3.00 Å) Tb–Cu bond lengths. In the second Tb site, Tb is bonded in a 7-coordinate geometry to four equivalent Pt and three equivalent Cu atoms. There are two shorter (2.99 Å) and two longer (3.00 Å) Tb–Pt bond lengths. There are one shorter (2.95 Å) and two longer (2.98 Å) Tb–Cu bond lengths. Pt is bonded in a 9-coordinate geometry to seven Tb and two equivalent Cu atoms. Both Pt–Cu bond lengths are 2.76 Å. Cu is bonded in a 9-coordinate geometry to seven Tb and two equivalent Pt atoms.

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Materials Data on Tb7Rh3 by Materials Project

Tb7Rh3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 3-coordinate geometry to three equivalent Rh atoms. All Tb–Rh bond lengths are 2.81 Å. In the second Tb site, Tb is bonded in a distorted L-shaped geometry to two equivalent Rh atoms. Both Tb–Rh bond lengths are 2.84 Å. In the third Tb site, Tb is bonded in a 3-coordinate geometry to three equivalent Rh atoms. There are one shorter (2.87 Å) and two 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 CaTb3 by Materials Project

CaTb3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded to twelve Tb atoms to form CaTb12 cuboctahedra that share corners with four equivalent CaTb12 cuboctahedra, corners with eight equivalent TbCa4Tb8 cuboctahedra, edges with eight equivalent CaTb12 cuboctahedra, edges with sixteen equivalent TbCa4Tb8 cuboctahedra, faces with four equivalent CaTb12 cuboctahedra, and faces with fourteen TbCa4Tb8 cuboctahedra. There are eight shorter (3.61 Å) and four longer (3.62 Å) Ca–Tb bond lengths. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Ca and eight Tb atoms to form TbCa4Tb8 cuboctahedra that share corners with twelve equivalent TbCa4Tb8 cuboctahedra, edges with eight equivalent CaTb12 cuboctahedra, edges with sixteen TbCa4Tb8 cuboctahedra, faces with four equivalent CaTb12 cuboctahedra, and faces with fourteen TbCa4Tb8 cuboctahedra. There are four shorter (3.61 Å) and four longer (3.62 Å) Tb–Tb bond lengths. In the second Tb site, Tb is bonded to four equivalent Ca and eight equivalent Tb atoms to form TbCa4Tb8 cuboctahedra that share corners with four equivalent TbCa4Tb8 cuboctahedra, corners with eight equivalent CaTb12 cuboctahedra, edges with twenty-four TbCa4Tb8 cuboctahedra, faces with six equivalent CaTb12 cuboctahedra, and faces with twelve TbCa4Tb8 cuboctahedra.

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Materials Data on KNa2Tb(SiO3)8 by Materials Project

KNa2Tb(SiO3)8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K is bonded to six O atoms to form distorted KO6 octahedra that share corners with eight SiO4 tetrahedra. There are a spread of K–O bond distances ranging from 3.01–3.16 Å. There are two inequivalent Na sites. In the first Na site, Na is bonded to six O atoms to form distorted NaO6 octahedra that share corners with four SiO4 tetrahedra and edges with two TbO6 octahedra. There are a spread of Na–O bond distances ranging from 2.37–2.68 Å. In the second Na site, Na is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Na–O bond distances ranging from 2.44–2.88 Å. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded to six O atoms to form TbO6 octahedra that share corners with six SiO4 tetrahedra and edges with two equivalent NaO6 octahedra. There are two shorter (2.25 Å) and four longer (2.29 Å) Tb–O bond lengths. In the second Tb site, Tb is bonded to six O atoms to form TbO6 octahedra that share corners with six SiO4 tetrahedra and edges with two equivalent NaO6 octahedra. There are four shorter (2.30 Å) and two longer (2.32 Å) Tb–O bond lengths. There are six inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one KO6 octahedra, a cornercorner with one NaO6 octahedra, a cornercorner with one TbO6 octahedra, and corners with three SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 38–67°. There are a spread of Si–O bond distances ranging from 1.60–1.67 Å. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one TbO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 29°. There is one shorter (1.61 Å) and three longer (1.64 Å) Si–O bond length. In the third Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one KO6 octahedra, a cornercorner with one NaO6 octahedra, a cornercorner with one TbO6 octahedra, and corners with three SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–70°. There are a spread of Si–O bond distances ranging from 1.61–1.66 Å. In the fourth Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent KO6 octahedra and corners with four SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 71°. There are a spread of Si–O bond distances ranging from 1.61–1.64 Å. In the fifth Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one TbO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 24°. There are a spread of Si–O bond distances ranging from 1.59–1.66 Å. In the sixth Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent KO6 octahedra and corners with four SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 74°. There are a spread of Si–O bond distances ranging from 1.61–1.63 Å. There are fifteen inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one K and two Si atoms. In the third O site, O is bonded in a bent 150 degrees geometry to one Tb and one Si atom. In the fourth O site, O is bonded in a linear geometry to two Si atoms. In the fifth O site, O is bonded in a 4-coordinate geometry to two Na, one Tb, and one Si atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the seventh O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the eighth O site, O is bonded in a distorted bent 150 degrees geometry to one K and two Si atoms. In the ninth O site, O is bonded in a 4-coordinate geometry to two equivalent Na, one Tb, and one Si atom. In the tenth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the eleventh O site, O is bonded in a 3-coordinate geometry to one Na, one Tb, and one Si atom. In the twelfth O site, O is bonded in a bent 150 degrees geometry to one Na and two Si atoms. In the thirteenth O site, O is bonded in a trigonal non-coplanar geometry to two Na and one O atom. The O–O bond length is 1.31 Å. In the fourteenth O site, O is bonded in a bent 120 degrees geometry to one K and one O atom. The O–O bond length is 1.24 Å. In the fifteenth O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms.

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Materials Data on Tb5SbAu2 by Materials Project

Tb5Au2Sb crystallizes in the tetragonal I4/mcm 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 and two equivalent Sb atoms to form corner-sharing TbSb2Au4 octahedra. The corner-sharing octahedra tilt angles range from 0–49°. All Tb–Au bond lengths are 3.17 Å. Both Tb–Sb bond lengths are 3.26 Å. In the second Tb site, Tb is bonded in a 5-coordinate geometry to three equivalent Au and two equivalent Sb atoms. There are one shorter (3.02 Å) and two longer (3.03 Å) Tb–Au bond lengths. Both Tb–Sb bond lengths are 3.38 Å. Au is bonded in a 8-coordinate geometry to eight Tb atoms. Sb is bonded in a distorted q6 geometry to ten Tb atoms.

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Materials Data on Tb7NiI12 by Materials Project

Tb7NiI12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to one Ni and five I atoms to form a mixture of distorted corner and edge-sharing TbNiI5 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. The Tb–Ni bond length is 2.66 Å. There are a spread of Tb–I bond distances ranging from 3.13–3.38 Å. In the second Tb site, Tb is bonded to six equivalent I atoms to form edge-sharing TbI6 octahedra. All Tb–I bond lengths are 3.09 Å. Ni is bonded in an octahedral geometry to six equivalent Tb atoms. There are two inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three equivalent Tb atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three Tb atoms.

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Materials Data on Tb7RhI12 by Materials Project

Tb7RhI12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to six equivalent I atoms to form edge-sharing TbI6 octahedra. All Tb–I bond lengths are 3.05 Å. In the second Tb site, Tb is bonded to one Rh and five I atoms to form distorted TbRhI5 octahedra that share corners with three equivalent TbRhI5 octahedra and edges with six TbI6 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. The Tb–Rh bond length is 2.70 Å. There are a spread of Tb–I bond distances ranging from 3.11–3.42 Å. Rh is bonded in an octahedral geometry to six equivalent Tb atoms. There are two inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three Tb atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three equivalent Tb atoms.

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Materials Data on Tb3Tm by Materials Project

TmTb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm is bonded to twelve Tb atoms to form TmTb12 cuboctahedra that share corners with four equivalent TmTb12 cuboctahedra, corners with eight 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 TbTb8Tm4 cuboctahedra. There are four shorter (3.54 Å) and eight longer (3.55 Å) Tm–Tb bond lengths. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Tm and eight Tb atoms to form TbTb8Tm4 cuboctahedra that share corners with twelve equivalent TbTb8Tm4 cuboctahedra, edges with eight equivalent TmTb12 cuboctahedra, edges with sixteen TbTb8Tm4 cuboctahedra, faces with four equivalent TmTb12 cuboctahedra, and faces with fourteen TbTb8Tm4 cuboctahedra. There are four shorter (3.54 Å) and four longer (3.55 Å) Tb–Tb bond lengths. In the second Tb site, Tb is bonded to four equivalent Tm and eight equivalent Tb atoms to form TbTb8Tm4 cuboctahedra that share corners with four equivalent TbTb8Tm4 cuboctahedra, corners with eight equivalent TmTb12 cuboctahedra, edges with twenty-four TbTb8Tm4 cuboctahedra, faces with six equivalent TmTb12 cuboctahedra, and faces with twelve TbTb8Tm4 cuboctahedra.

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Materials Data on Tb3MnB7 by Materials Project

Tb3MnB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tb+3.67+ sites. In the first Tb+3.67+ site, Tb+3.67+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Tb–B bond distances ranging from 2.62–2.74 Å. In the second Tb+3.67+ site, Tb+3.67+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Tb–B bond distances ranging from 2.62–2.69 Å. Mn4+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Mn–B bond distances ranging from 2.27–2.29 Å. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to six Tb+3.67+ and three B+2.14- atoms. There is one shorter (1.91 Å) and two longer (1.97 Å) B–B bond length. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Tb+3.67+, two equivalent Mn4+, and three B+2.14- atoms. There is one shorter (1.78 Å) and one longer (1.80 Å) B–B bond length. In the third B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Tb+3.67+, two equivalent Mn4+, and three B+2.14- atoms. There is one shorter (1.71 Å) and one longer (1.98 Å) B–B bond length. In the fourth B+2.14- site, B+2.14- is bonded in a 8-coordinate geometry to four equivalent Tb+3.67+, two equivalent Mn4+, and two equivalent B+2.14- atoms.

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Materials Data on TbGaCo4 by Materials Project

TbCo4Ga crystallizes in the hexagonal P6/mmm 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 twelve Co and six equivalent Ga atoms. There are six shorter (2.90 Å) and six longer (3.27 Å) Tb–Co bond lengths. All Tb–Ga bond lengths are 3.19 Å. In the second Tb site, Tb is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.81 Å) and twelve longer (3.12 Å) Tb–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three Tb, four equivalent Co, and two equivalent Ga atoms. All Co–Co bond lengths are 2.45 Å. Both Co–Ga bond lengths are 2.51 Å. In the second Co site, Co is bonded to four Tb, six Co, and two equivalent Ga atoms to form distorted CoTb4Ga2Co6 cuboctahedra that share corners with four equivalent GaTb4Co8 cuboctahedra, corners with twelve equivalent CoTb4Ga2Co6 cuboctahedra, edges with five equivalent CoTb4Ga2Co6 cuboctahedra, edges with five equivalent GaTb4Co8 cuboctahedra, faces with two equivalent GaTb4Co8 cuboctahedra, and faces with eight equivalent CoTb4Ga2Co6 cuboctahedra. Both Co–Co bond lengths are 2.39 Å. Both Co–Ga bond lengths are 2.53 Å. Ga is bonded to four equivalent Tb and eight Co atoms to form GaTb4Co8 cuboctahedra that share corners with eight equivalent CoTb4Ga2Co6 cuboctahedra, corners with eight equivalent GaTb4Co8 cuboctahedra, edges with ten equivalent CoTb4Ga2Co6 cuboctahedra, faces with four equivalent CoTb4Ga2Co6 cuboctahedra, and faces with six equivalent GaTb4Co8 cuboctahedra.

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Materials Data on Tb3Th by Materials Project

ThTb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Tb atoms to form ThTb12 cuboctahedra that share corners with four equivalent ThTb12 cuboctahedra, corners with eight equivalent TbTb8Th4 cuboctahedra, edges with eight equivalent ThTb12 cuboctahedra, edges with sixteen equivalent TbTb8Th4 cuboctahedra, faces with four equivalent ThTb12 cuboctahedra, and faces with fourteen TbTb8Th4 cuboctahedra. There are eight shorter (3.56 Å) and four longer (3.59 Å) Th–Tb bond lengths. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Th and eight Tb atoms to form TbTb8Th4 cuboctahedra that share corners with twelve equivalent TbTb8Th4 cuboctahedra, edges with eight equivalent ThTb12 cuboctahedra, edges with sixteen TbTb8Th4 cuboctahedra, faces with four equivalent ThTb12 cuboctahedra, and faces with fourteen TbTb8Th4 cuboctahedra. There are four shorter (3.56 Å) and four longer (3.59 Å) Tb–Tb bond lengths. In the second Tb site, Tb is bonded to four equivalent Th and eight equivalent Tb atoms to form TbTb8Th4 cuboctahedra that share corners with four equivalent TbTb8Th4 cuboctahedra, corners with eight equivalent ThTb12 cuboctahedra, edges with twenty-four TbTb8Th4 cuboctahedra, faces with six equivalent ThTb12 cuboctahedra, and faces with twelve TbTb8Th4 cuboctahedra.

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Materials Data on Tb2Co17 by Materials Project

Tb2Co17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Tb–Co bond distances ranging from 2.95–3.25 Å. In the second Tb site, Tb is bonded in a 2-coordinate geometry to twenty Co atoms. There are a spread of Tb–Co bond distances ranging from 2.90–3.14 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to one Tb and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.32–2.66 Å. In the second Co site, Co is bonded to two equivalent Tb and ten Co atoms to form CoTb2Co10 cuboctahedra that share corners with fourteen CoTb2Co10 cuboctahedra, edges with six equivalent CoTb3Co9 cuboctahedra, and faces with ten CoTb2Co10 cuboctahedra. There are four shorter (2.39 Å) and four longer (2.40 Å) Co–Co bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to two Tb and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.33–2.56 Å. In the fourth Co site, Co is bonded to three Tb and nine Co atoms to form a mixture of distorted corner, edge, and face-sharing CoTb3Co9 cuboctahedra. Both Co–Co bond lengths are 2.42 Å.

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