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Materials Data on TbGaAu2 by Materials Project

TbAu2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Tb–Au bond lengths are 2.97 Å. Au is bonded in a body-centered cubic geometry to four equivalent Tb and four equivalent Ga atoms. All Au–Ga bond lengths are 2.97 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.

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Materials Data on TbGa6 by Materials Project

TbGa6 crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of two Ga clusters and two TbGa2 clusters. In each Ga cluster, Ga is bonded in an L-shaped geometry to two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.58 Å. In each TbGa2 cluster, Tb is bonded in a linear geometry to two equivalent Ga atoms. Both Tb–Ga bond lengths are 2.86 Å. Ga is bonded in a single-bond geometry to one Tb atom.

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Materials Data on TbTmIr2 by Materials Project

TmTbIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Tm–Ir bond lengths are 2.96 Å. Tb is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Tb–Ir bond lengths are 2.96 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Tb atoms.

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Materials Data on TbMgNi by Materials Project

TbNiMg crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two TbNiMg sheets oriented in the (0, 1, 0) direction. Mg is bonded in a distorted single-bond geometry to one Ni atom. The Mg–Ni bond length is 2.81 Å. Tb is bonded in a 6-coordinate geometry to six equivalent Ni atoms. There are four shorter (2.81 Å) and two longer (2.93 Å) Tb–Ni bond lengths. Ni is bonded in a 9-coordinate geometry to one Mg, six equivalent Tb, and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.49 Å.

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Materials Data on Tb3Se by Materials Project

Tb3Se is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded in a distorted square co-planar geometry to four equivalent Se atoms. All Tb–Se bond lengths are 3.32 Å. Se is bonded to twelve equivalent Tb atoms to form a mixture of face and corner-sharing SeTb12 cuboctahedra.

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Materials Data on TbAl3 by Materials Project

TbAl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Al atoms to form TbAl12 cuboctahedra that share corners with twelve equivalent TbAl12 cuboctahedra, edges with twenty-four equivalent AlTb4Al8 cuboctahedra, faces with six equivalent TbAl12 cuboctahedra, and faces with twelve equivalent AlTb4Al8 cuboctahedra. All Tb–Al bond lengths are 3.02 Å. Al is bonded to four equivalent Tb and eight equivalent Al atoms to form distorted AlTb4Al8 cuboctahedra that share corners with twelve equivalent AlTb4Al8 cuboctahedra, edges with eight equivalent TbAl12 cuboctahedra, edges with sixteen equivalent AlTb4Al8 cuboctahedra, faces with four equivalent TbAl12 cuboctahedra, and faces with fourteen equivalent AlTb4Al8 cuboctahedra. All Al–Al bond lengths are 3.02 Å.

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Materials Data on TbMgZn2 by Materials Project

MgTbZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Mg–Zn bond lengths are 2.95 Å. Tb is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Tb–Zn bond lengths are 2.95 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tb atoms.

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Materials Data on TbPm3 by Materials Project

TbPm3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Pm atoms to form TbPm12 cuboctahedra that share corners with six equivalent TbPm12 cuboctahedra, corners with twelve equivalent PmTb4Pm8 cuboctahedra, edges with eighteen equivalent PmTb4Pm8 cuboctahedra, faces with eight equivalent TbPm12 cuboctahedra, and faces with twelve equivalent PmTb4Pm8 cuboctahedra. There are six shorter (3.64 Å) and six longer (3.65 Å) Tb–Pm bond lengths. Pm is bonded to four equivalent Tb and eight equivalent Pm atoms to form PmTb4Pm8 cuboctahedra that share corners with four equivalent TbPm12 cuboctahedra, corners with fourteen equivalent PmTb4Pm8 cuboctahedra, edges with six equivalent TbPm12 cuboctahedra, edges with twelve equivalent PmTb4Pm8 cuboctahedra, faces with four equivalent TbPm12 cuboctahedra, and faces with sixteen equivalent PmTb4Pm8 cuboctahedra. There are six shorter (3.64 Å) and two longer (3.66 Å) Pm–Pm bond lengths.

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Materials Data on TbSiO3 by Materials Project

TbSiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded to twelve equivalent O atoms to form TbO12 cuboctahedra that share corners with twelve equivalent TbO12 cuboctahedra, faces with six equivalent TbO12 cuboctahedra, and faces with eight equivalent SiO6 octahedra. All Tb–O bond lengths are 2.64 Å. Si is bonded to six equivalent O atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent TbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.86 Å. O is bonded to four equivalent Tb and two equivalent Si atoms to form a mixture of distorted edge, corner, and face-sharing OTb4Si2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

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Materials Data on Tb2GdGa5O12 by Materials Project

Tb2GdGa5O12 crystallizes in the tetragonal I4_122 space group. The structure is three-dimensional. there are three 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 (2.37 Å) and four longer (2.47 Å) Tb–O bond lengths. In the second Tb3+ site, Tb3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.37 Å) and four longer (2.47 Å) Tb–O bond lengths. In the third Tb3+ site, Tb3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.37 Å) and four longer (2.47 Å) Tb–O bond lengths. Gd3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.39 Å) and four longer (2.48 Å) Gd–O bond lengths. There are four inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. There are five shorter (2.02 Å) and one longer (2.03 Å) Ga–O bond lengths. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. All Ga–O bond lengths are 1.87 Å. In the third Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. All Ga–O bond lengths are 1.87 Å. In the fourth Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. All Ga–O bond lengths are 1.87 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Tb3+, one Gd3+, and two Ga3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Gd3+ and two Ga3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Tb3+, one Gd3+, and two Ga3+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Tb3+ and two Ga3+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tb3+ and two Ga3+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two Tb3+ and two Ga3+ atoms.

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Materials Data on CaTb3Mn4O12 by Materials Project

CaTb3Mn4O12 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.31–2.75 Å. There are three inequivalent Tb3+ sites. In the first 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 2.27–2.71 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 2.27–2.68 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 2.29–2.62 Å. There are two inequivalent Mn+3.25+ sites. In the first Mn+3.25+ site, Mn+3.25+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 29–34°. There are a spread of Mn–O bond distances ranging from 1.96–2.13 Å. In the second Mn+3.25+ site, Mn+3.25+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 29–35°. There are a spread of Mn–O bond distances ranging from 1.94–2.06 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ca2+, one Tb3+, and two equivalent Mn+3.25+ atoms to form distorted OCaTbMn2 tetrahedra that share corners with two equivalent OCaTbMn2 tetrahedra and corners with two equivalent OTb2Mn2 trigonal pyramids. In the second O2- site, O2- is bonded to one Ca2+, one Tb3+, and two equivalent Mn+3.25+ atoms to form distorted corner-sharing OCaTbMn2 tetrahedra. In the third O2- site, O2- is bonded to two Tb3+ and two equivalent Mn+3.25+ atoms to form distorted corner-sharing OTb2Mn2 trigonal pyramids. In the fourth O2- site, O2- is bonded to two Tb3+ and two equivalent Mn+3.25+ atoms to form distorted OTb2Mn2 tetrahedra that share corners with two equivalent OCaTbMn2 tetrahedra and corners with two equivalent OTb2Mn2 trigonal pyramids. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two Tb3+, and two Mn+3.25+ atoms. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two Tb3+, and two Mn+3.25+ atoms. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to three Tb3+ and two Mn+3.25+ atoms. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two Tb3+, and two Mn+3.25+ atoms.

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Materials Data on Tb5(MoO6)2 by Materials Project

Tb5(MoO6)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to seven O2- atoms to form distorted TbO7 pentagonal bipyramids that share corners with two equivalent TbO6 octahedra, a cornercorner with one TbO7 pentagonal bipyramid, an edgeedge with one TbO6 octahedra, edges with two equivalent MoO6 octahedra, and edges with six TbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 54°. There are a spread of Tb–O bond distances ranging from 2.31–2.42 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 TbO6 octahedra, corners with two equivalent MoO6 octahedra, a cornercorner with one TbO7 pentagonal bipyramid, edges with two equivalent MoO6 octahedra, and edges with six TbO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 47–56°. There are a spread of Tb–O bond distances ranging from 2.33–2.46 Å. In the third Tb3+ site, Tb3+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with four equivalent MoO6 octahedra, corners with eight TbO7 pentagonal bipyramids, and edges with two equivalent TbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. There are two shorter (2.31 Å) and four longer (2.36 Å) Tb–O bond lengths. Mo+4.50+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with two equivalent TbO6 octahedra, corners with two equivalent TbO7 pentagonal bipyramids, edges with two equivalent MoO6 octahedra, and edges with four TbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. There are a spread of Mo–O bond distances ranging from 1.97–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Tb3+ and one Mo+4.50+ atom to form distorted OTb3Mo tetrahedra that share corners with ten OTb4 tetrahedra, a cornercorner with one OTb2Mo2 trigonal pyramid, edges with three OTb4 tetrahedra, and edges with two equivalent OTb2Mo2 trigonal pyramids. In the second O2- site, O2- is bonded to four Tb3+ atoms to form OTb4 tetrahedra that share corners with ten OTb4 tetrahedra, corners with three equivalent OTb2Mo2 trigonal pyramids, and edges with four OTb4 tetrahedra. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Tb3+ and two equivalent Mo+4.50+ atoms. In the fourth O2- site, O2- is bonded to two Tb3+ and two equivalent Mo+4.50+ atoms to form distorted OTb2Mo2 trigonal pyramids that share corners with eight OTb4 tetrahedra, edges with four equivalent OTb3Mo tetrahedra, and an edgeedge with one OTb2Mo2 trigonal pyramid.

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Materials Data on TbSi2 by Materials Project

TbSi2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing TbSi12 cuboctahedra. There are eight shorter (3.08 Å) and four longer (3.14 Å) Tb–Si bond lengths. Si is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Si atoms. There are two shorter (2.35 Å) and one longer (2.40 Å) Si–Si bond lengths.

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Materials Data on TbCO4 by Materials Project

TbCO4 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are three inequivalent Tb4+ sites. In the first Tb4+ site, Tb4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tb–O bond distances ranging from 2.35–2.59 Å. In the second Tb4+ site, Tb4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tb–O bond distances ranging from 2.36–2.57 Å. In the third Tb4+ site, Tb4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tb–O bond distances ranging from 2.35–2.56 Å. There are six inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. In the third C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. All C–O bond lengths are 1.29 Å. In the fourth C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. All C–O bond lengths are 1.29 Å. In the fifth C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. In the sixth C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. There are seventeen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tb4+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Tb4+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tb4+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Tb4+ and one C4+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to two equivalent Tb4+ and one C4+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Tb4+ and one C4+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tb4+ and one C4+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two Tb4+ and one C4+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tb4+ and one C4+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to two Tb4+ and one C4+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to two equivalent Tb4+ and one C4+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to two Tb4+ and one C4+ atom. In the thirteenth O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Tb4+ atoms. In the fourteenth O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Tb4+ atoms. In the fifteenth O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Tb4+ atoms. In the sixteenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Tb4+ atoms. In the seventeenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Tb4+ atoms.

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Materials Data on Tb5(ReO6)2 by Materials Project

Tb5(ReO6)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to seven O2- atoms to form distorted TbO7 pentagonal bipyramids that share corners with two equivalent TbO6 octahedra, an edgeedge with one TbO6 octahedra, edges with two equivalent ReO6 octahedra, and edges with two equivalent TbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 57°. There are a spread of Tb–O bond distances ranging from 2.30–2.44 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 2.29–2.50 Å. In the third Tb3+ site, Tb3+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with four equivalent ReO6 octahedra, corners with four equivalent TbO7 pentagonal bipyramids, and edges with two equivalent TbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There are two shorter (2.24 Å) and four longer (2.33 Å) Tb–O bond lengths. Re+4.50+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with two equivalent TbO6 octahedra, edges with two equivalent ReO6 octahedra, and edges with two equivalent TbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There are a spread of Re–O bond distances ranging from 1.97–2.11 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Tb3+ and two equivalent Re+4.50+ atoms. In the second O2- site, O2- is bonded to three Tb3+ and one Re+4.50+ atom to form a mixture of distorted edge and corner-sharing OTb3Re tetrahedra. In the third O2- site, O2- is bonded to two Tb3+ and two equivalent Re+4.50+ atoms to form a mixture of distorted edge and corner-sharing OTb2Re2 tetrahedra. In the fourth O2- site, 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 TbErHg2 by Materials Project

ErTbHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Er–Hg bond lengths are 3.23 Å. Tb is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Tb–Hg bond lengths are 3.23 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Tb atoms.

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Materials Data on TbHoIn2 by Materials Project

HoTbIn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Ho–In bond lengths are 3.27 Å. Tb is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Tb–In bond lengths are 3.27 Å. In is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Tb atoms.

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Materials Data on Ca3Tb by Materials Project

Ca3Tb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded to eight equivalent Ca and four equivalent Tb atoms to form CaCa8Tb4 cuboctahedra that share corners with four equivalent TbCa12 cuboctahedra, corners with fourteen equivalent CaCa8Tb4 cuboctahedra, edges with six equivalent TbCa12 cuboctahedra, edges with twelve equivalent CaCa8Tb4 cuboctahedra, faces with four equivalent TbCa12 cuboctahedra, and faces with sixteen equivalent CaCa8Tb4 cuboctahedra. There are a spread of Ca–Ca bond distances ranging from 3.71–3.87 Å. All Ca–Tb bond lengths are 3.79 Å. Tb is bonded to twelve equivalent Ca atoms to form TbCa12 cuboctahedra that share corners with six equivalent TbCa12 cuboctahedra, corners with twelve equivalent CaCa8Tb4 cuboctahedra, edges with eighteen equivalent CaCa8Tb4 cuboctahedra, faces with eight equivalent TbCa12 cuboctahedra, and faces with twelve equivalent CaCa8Tb4 cuboctahedra.

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