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Materials Data on UTa2S6Cl6O by Materials Project

UTa2O(S2)3Cl6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one UTa2O(S2)3Cl6 ribbon oriented in the (1, 0, 0) direction. U4+ is bonded in a 1-coordinate geometry to four S1-, one O2-, and four Cl1- atoms. There are a spread of U–S bond distances ranging from 2.85–2.96 Å. The U–O bond length is 2.32 Å. There are a spread of U–Cl bond distances ranging from 2.77–2.85 Å. There are two inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded in a 7-coordinate geometry to four S1-, one O2-, and two Cl1- atoms. There are a spread of Ta–S bond distances ranging from 2.45–2.59 Å. The Ta–O bond length is 2.02 Å. There are one shorter (2.32 Å) and one longer (2.35 Å) Ta–Cl bond lengths. In the second Ta5+ site, Ta5+ is bonded in a 7-coordinate geometry to four S1-, one O2-, and two Cl1- atoms. There are a spread of Ta–S bond distances ranging from 2.46–2.58 Å. The Ta–O bond length is 2.01 Å. There are one shorter (2.32 Å) and one longer (2.38 Å) Ta–Cl bond lengths. There are six inequivalent S1- sites. In the first S1- site, S1- is bonded in a 2-coordinate geometry to two Ta5+, one S1-, and one Cl1- atom. The S–S bond length is 2.08 Å. The S–Cl bond length is 3.17 Å. In the second S1- site, S1- is bonded in a 1-coordinate geometry to one U4+, one Ta5+, and one S1- atom. The S–S bond length is 2.08 Å. In the third S1- site, S1- is bonded in a 1-coordinate geometry to one U4+, one Ta5+, one S1-, and two Cl1- atoms. There are one shorter (3.28 Å) and one longer (3.60 Å) S–Cl bond lengths. In the fourth S1- site, S1- is bonded in a 1-coordinate geometry to one U4+ and one Ta5+ atom. In the fifth S1- site, S1- is bonded in a 1-coordinate geometry to one U4+ and one Ta5+ atom. In the sixth S1- site, S1- is bonded in a 2-coordinate geometry to two Ta5+ and one S1- atom. O2- is bonded in a trigonal non-coplanar geometry to one U4+ and two Ta5+ atoms. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent U4+ and one S1- atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ta5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ta5+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ta5+ and two S1- atoms. In the fifth Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent U4+ atoms. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ta5+ atom.

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Materials Data on MgTa by Materials Project

MgTa is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight equivalent Ta atoms to form MgMg4Ta8 cuboctahedra that share corners with eight equivalent TaMg8Ta4 cuboctahedra, corners with ten equivalent MgMg4Ta8 cuboctahedra, edges with six equivalent MgMg4Ta8 cuboctahedra, edges with twelve equivalent TaMg8Ta4 cuboctahedra, faces with eight equivalent TaMg8Ta4 cuboctahedra, and faces with twelve equivalent MgMg4Ta8 cuboctahedra. There are two shorter (2.86 Å) and two longer (2.90 Å) Mg–Mg bond lengths. There are a spread of Mg–Ta bond distances ranging from 3.01–3.22 Å. Ta is bonded to eight equivalent Mg and four equivalent Ta atoms to form TaMg8Ta4 cuboctahedra that share corners with eight equivalent MgMg4Ta8 cuboctahedra, corners with ten equivalent TaMg8Ta4 cuboctahedra, edges with six equivalent TaMg8Ta4 cuboctahedra, edges with twelve equivalent MgMg4Ta8 cuboctahedra, faces with eight equivalent MgMg4Ta8 cuboctahedra, and faces with twelve equivalent TaMg8Ta4 cuboctahedra. There are two shorter (2.78 Å) and two longer (2.86 Å) Ta–Ta bond lengths.

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Materials Data on YbTa by Materials Project

YbTa crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Yb is bonded to six equivalent Yb and six equivalent Ta atoms to form YbYb6Ta6 cuboctahedra that share corners with eighteen equivalent YbYb6Ta6 cuboctahedra, edges with six equivalent YbYb6Ta6 cuboctahedra, edges with twelve equivalent TaYb6Ta6 cuboctahedra, faces with eight equivalent YbYb6Ta6 cuboctahedra, and faces with twelve equivalent TaYb6Ta6 cuboctahedra. All Yb–Yb bond lengths are 3.10 Å. All Yb–Ta bond lengths are 3.24 Å. Ta is bonded to six equivalent Yb and six equivalent Ta atoms to form TaYb6Ta6 cuboctahedra that share corners with eighteen equivalent TaYb6Ta6 cuboctahedra, edges with six equivalent TaYb6Ta6 cuboctahedra, edges with twelve equivalent YbYb6Ta6 cuboctahedra, faces with eight equivalent TaYb6Ta6 cuboctahedra, and faces with twelve equivalent YbYb6Ta6 cuboctahedra. All Ta–Ta bond lengths are 3.10 Å.

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Materials Data on TbTa3O9 by Materials Project

TbTa3O9 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to twelve O2- atoms to form distorted TbO12 cuboctahedra that share corners with three TbO12 cuboctahedra, faces with two equivalent TbO12 cuboctahedra, and faces with eight TaO6 octahedra. There are a spread of Tb–O bond distances ranging from 2.46–2.96 Å. In the second Tb3+ site, Tb3+ is bonded to twelve O2- atoms to form distorted TbO12 cuboctahedra that share corners with three TbO12 cuboctahedra, faces with two equivalent TbO12 cuboctahedra, and faces with eight TaO6 octahedra. There are a spread of Tb–O bond distances ranging from 2.43–2.95 Å. There are six inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six TaO6 octahedra and faces with three TbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–19°. There are a spread of Ta–O bond distances ranging from 1.91–2.07 Å. In the second Ta5+ site, Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six TaO6 octahedra and faces with two TbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–15°. There are a spread of Ta–O bond distances ranging from 1.95–2.00 Å. In the third Ta5+ site, Ta5+ is bonded to six O2- atoms to form distorted TaO6 octahedra that share corners with six TaO6 octahedra and faces with three TbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 3–19°. There are a spread of Ta–O bond distances ranging from 1.90–2.11 Å. In the fourth Ta5+ site, Ta5+ is bonded to six O2- atoms to form distorted TaO6 octahedra that share corners with six TaO6 octahedra and faces with three TbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 2–18°. There are a spread of Ta–O bond distances ranging from 1.90–2.11 Å. In the fifth Ta5+ site, Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six TaO6 octahedra and faces with three TbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–18°. There are a spread of Ta–O bond distances ranging from 1.92–2.07 Å. In the sixth Ta5+ site, Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six TaO6 octahedra and faces with two TbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–16°. There are a spread of Ta–O bond distances ranging from 1.96–2.00 Å. There are eighteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two Tb3+ and two Ta5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Tb3+ and two Ta5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Tb3+ and two Ta5+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Tb3+ and two Ta5+ atoms. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to three Tb3+ and two Ta5+ atoms. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to three Tb3+ and two Ta5+ atoms. In the seventh O2- site, O2- is bonded in a linear geometry to two Ta5+ atoms. In the eighth O2- site, O2- is bonded in a linear geometry to two Ta5+ atoms. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to one Tb3+ and two Ta5+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to two Tb3+ and two Ta5+ atoms. In the eleventh O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Tb3+ and two Ta5+ atoms. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to one Tb3+ and two Ta5+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted linear geometry to one Tb3+ and two Ta5+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted linear geometry to one Tb3+ and two Ta5+ atoms. In the fifteenth O2- site, O2- is bonded in a linear geometry to two Ta5+ atoms. In the sixteenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Tb3+ and two Ta5+ atoms. In the seventeenth O2- site, O2- is bonded in a 2-coordinate geometry to one Tb3+ and two Ta5+ atoms. In the eighteenth O2- site, O2- is bonded in a 3-coordinate geometry to one Tb3+ and two Ta5+ atoms.

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Materials Data on TaTi by Materials Project

TiTa is Tungsten-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ti is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent Ta atoms. All Ti–Ti bond lengths are 2.83 Å. All Ti–Ta bond lengths are 2.85 Å. Ta is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent Ta atoms. All Ta–Ta bond lengths are 2.83 Å.

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Materials Data on Ba3Ta4NbO15 by Materials Project

Ba3Ta4NbO15 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share faces with two equivalent BaO12 cuboctahedra and faces with eight equivalent TaO6 octahedra. There are eight shorter (2.83 Å) and four longer (2.85 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.86 Å) and four longer (2.89 Å) Ba–O bond lengths. Ta+4.75+ is bonded to six O2- atoms to form TaO6 octahedra that share a cornercorner with one NbO6 octahedra, corners with five equivalent TaO6 octahedra, and faces with two equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 3–39°. There are a spread of Ta–O bond distances ranging from 1.95–2.06 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra and corners with four equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–36°. There are two shorter (2.01 Å) and four longer (2.03 Å) Nb–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ba2+ and two equivalent Ta+4.75+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+ and two equivalent Ta+4.75+ atoms. In the fourth O2- site, O2- is bonded in a distorted linear geometry to one Ba2+ and two equivalent Ta+4.75+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ba2+, one Ta+4.75+, and one Nb5+ atom.

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Materials Data on TaReSi by Materials Project

TaReSi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ta is bonded in a 11-coordinate geometry to six equivalent Re and five Si atoms. There are two shorter (2.86 Å) and four longer (2.94 Å) Ta–Re bond lengths. There are four shorter (2.67 Å) and one longer (2.77 Å) Ta–Si bond lengths. Re is bonded in a 10-coordinate geometry to six equivalent Ta and four Si atoms. There are two shorter (2.43 Å) and two longer (2.59 Å) Re–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to three equivalent Ta and six equivalent Re atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ta and three equivalent Re atoms.

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Materials Data on Li2Ta2W2O13 by Materials Project

Li2Ta2W2O13 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Li–O bond distances ranging from 2.04–2.41 Å. Ta is bonded to six O atoms to form TaO6 octahedra that share corners with two equivalent TaO6 octahedra and corners with four equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 33–52°. There are a spread of Ta–O bond distances ranging from 1.93–2.04 Å. W is bonded to six O atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 34–40°. There are a spread of W–O bond distances ranging from 1.92–1.96 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Ta and one W atom. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent W atoms. In the third O site, O is bonded in a tetrahedral geometry to two equivalent Li and two equivalent Ta atoms. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Li, one Ta, and one W atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to two equivalent W atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to two equivalent Ta atoms. In the seventh O site, O is bonded in a bent 150 degrees geometry to two equivalent Li atoms.

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Materials Data on TaNb by Materials Project

TaNb crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ta is bonded in a 8-coordinate geometry to four equivalent Ta and four equivalent Nb atoms. All Ta–Ta bond lengths are 2.88 Å. All Ta–Nb bond lengths are 2.87 Å. Nb is bonded in a 8-coordinate geometry to four equivalent Ta and four equivalent Nb atoms. All Nb–Nb bond lengths are 2.88 Å.

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Materials Data on NaLa2TaTi2O12 by Materials Project

NaLa2Ti2TaO12 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one NaLa2Ti2TaO12 sheet oriented in the (0, 0, 1) direction. Na is bonded in a 4-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.21–2.78 Å. There are two inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of La–O bond distances ranging from 2.47–3.15 Å. In the second La site, La is bonded to twelve O atoms to form LaO12 cuboctahedra that share corners with four equivalent LaO12 cuboctahedra, faces with four equivalent LaO12 cuboctahedra, and faces with four equivalent TiO6 octahedra. There are a spread of La–O bond distances ranging from 2.64–2.80 Å. There are two inequivalent Ti sites. In the first Ti site, Ti is bonded to six O atoms to form TiO6 octahedra that share corners with four equivalent TiO6 octahedra and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 6–7°. There are a spread of Ti–O bond distances ranging from 1.90–1.99 Å. In the second Ti site, Ti is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ti–O bond distances ranging from 1.73–2.46 Å. Ta is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ta–O bond distances ranging from 1.76–2.41 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Ta atom. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Na and one Ti atom. In the third O site, O is bonded to four equivalent La, one Ti, and one Ta atom to form a mixture of distorted edge and corner-sharing OLa4TaTi octahedra. The corner-sharing octahedra tilt angles range from 3–4°. In the fourth O site, O is bonded in a distorted single-bond geometry to four equivalent La and two Ti atoms. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to two equivalent La and two equivalent Ta atoms. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to two equivalent La and two equivalent Ta atoms. In the seventh O site, O is bonded to two equivalent La and two equivalent Ti atoms to form a mixture of distorted edge and corner-sharing OLa2Ti2 tetrahedra. In the eighth O site, O is bonded to two equivalent La and two equivalent Ti atoms to form a mixture of distorted edge and corner-sharing OLa2Ti2 trigonal pyramids. In the ninth O site, O is bonded in a T-shaped geometry to two equivalent Na and one O atom. The O–O bond length is 1.24 Å. In the tenth O site, O is bonded in a 1-coordinate geometry to one Na and one O atom. In the eleventh O site, O is bonded in a distorted linear geometry to four La and two equivalent Ti atoms. In the twelfth O site, O is bonded in a distorted linear geometry to four La and two equivalent Ti atoms.

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Materials Data on PaTa by Materials Project

PaTa is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Pa is bonded to six equivalent Pa and six equivalent Ta atoms to form PaPa6Ta6 cuboctahedra that share corners with eighteen equivalent PaPa6Ta6 cuboctahedra, edges with six equivalent PaPa6Ta6 cuboctahedra, edges with twelve equivalent TaPa6Ta6 cuboctahedra, faces with eight equivalent PaPa6Ta6 cuboctahedra, and faces with twelve equivalent TaPa6Ta6 cuboctahedra. All Pa–Pa bond lengths are 3.07 Å. All Pa–Ta bond lengths are 3.22 Å. Ta is bonded to six equivalent Pa and six equivalent Ta atoms to form TaPa6Ta6 cuboctahedra that share corners with eighteen equivalent TaPa6Ta6 cuboctahedra, edges with six equivalent TaPa6Ta6 cuboctahedra, edges with twelve equivalent PaPa6Ta6 cuboctahedra, faces with eight equivalent TaPa6Ta6 cuboctahedra, and faces with twelve equivalent PaPa6Ta6 cuboctahedra. All Ta–Ta bond lengths are 3.07 Å.

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Materials Data on Ta3Cr3N by Materials Project

Cr3Ta3N crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ta is bonded in a distorted bent 150 degrees geometry to six Cr and two equivalent N atoms. There are two shorter (2.79 Å) and four longer (2.91 Å) Ta–Cr bond lengths. Both Ta–N bond lengths are 2.17 Å. There are two inequivalent Cr sites. In the first Cr site, Cr is bonded to six equivalent Ta and six equivalent Cr atoms to form CrTa6Cr6 cuboctahedra that share corners with six equivalent CrTa6Cr6 cuboctahedra, edges with six equivalent NTa6 octahedra, and faces with fourteen CrTa6Cr6 cuboctahedra. All Cr–Cr bond lengths are 2.45 Å. In the second Cr site, Cr is bonded to six equivalent Ta and six Cr atoms to form distorted CrTa6Cr6 cuboctahedra that share corners with nine CrTa6Cr6 cuboctahedra, corners with three equivalent NTa6 octahedra, faces with thirteen CrTa6Cr6 cuboctahedra, and faces with three equivalent NTa6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Cr–Cr bond lengths are 2.55 Å. N is bonded to six equivalent Ta atoms to form NTa6 octahedra that share corners with six equivalent CrTa6Cr6 cuboctahedra, corners with six equivalent NTa6 octahedra, edges with six equivalent CrTa6Cr6 cuboctahedra, and faces with six equivalent CrTa6Cr6 cuboctahedra. The corner-sharing octahedral tilt angles are 42°.

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Materials Data on Ta3Pt by Materials Project

Ta3Pt is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ta is bonded to eight equivalent Ta and four equivalent Pt atoms to form distorted TaTa8Pt4 cuboctahedra that share corners with twelve equivalent TaTa8Pt4 cuboctahedra, edges with eight equivalent PtTa12 cuboctahedra, edges with sixteen equivalent TaTa8Pt4 cuboctahedra, faces with four equivalent PtTa12 cuboctahedra, and faces with fourteen equivalent TaTa8Pt4 cuboctahedra. All Ta–Ta bond lengths are 2.92 Å. All Ta–Pt bond lengths are 2.92 Å. Pt is bonded to twelve equivalent Ta atoms to form PtTa12 cuboctahedra that share corners with twelve equivalent PtTa12 cuboctahedra, edges with twenty-four equivalent TaTa8Pt4 cuboctahedra, faces with six equivalent PtTa12 cuboctahedra, and faces with twelve equivalent TaTa8Pt4 cuboctahedra.

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Materials Data on TaFeB by Materials Project

TaFeB crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ta is bonded in a 11-coordinate geometry to six equivalent Fe and five B atoms. There are two shorter (2.63 Å) and four longer (2.67 Å) Ta–Fe bond lengths. There are four shorter (2.41 Å) and one longer (2.46 Å) Ta–B bond lengths. Fe is bonded in a 12-coordinate geometry to six equivalent Ta, two equivalent Fe, and four B atoms. Both Fe–Fe bond lengths are 2.48 Å. There are two shorter (2.15 Å) and two longer (2.32 Å) Fe–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to three equivalent Ta and six equivalent Fe atoms. In the second B site, B is bonded in a 9-coordinate geometry to six equivalent Ta and three equivalent Fe atoms.

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Materials Data on TaFe4Si by Materials Project

TaFe4Si crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ta is bonded in a 1-coordinate geometry to twelve Fe and one Si atom. There are a spread of Ta–Fe bond distances ranging from 2.74–2.86 Å. The Ta–Si bond length is 2.73 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent Fe and six equivalent Si atoms to form FeFe6Si6 cuboctahedra that share corners with twelve equivalent FeTa3Fe6Si3 cuboctahedra, edges with six equivalent FeFe6Si6 cuboctahedra, and faces with twenty FeTa6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.32 Å. All Fe–Si bond lengths are 2.80 Å. In the second Fe site, Fe is bonded to six equivalent Ta and six equivalent Fe atoms to form FeTa6Fe6 cuboctahedra that share corners with twelve equivalent FeTa3Fe6Si3 cuboctahedra, edges with six equivalent FeTa6Fe6 cuboctahedra, and faces with twenty FeFe6Si6 cuboctahedra. All Fe–Fe bond lengths are 2.39 Å. In the third Fe site, Fe is bonded to three equivalent Ta, six Fe, and three equivalent Si atoms to form FeTa3Fe6Si3 cuboctahedra that share corners with eighteen FeFe6Si6 cuboctahedra, edges with six equivalent FeTa3Fe6Si3 cuboctahedra, and faces with eighteen FeFe6Si6 cuboctahedra. There are two shorter (2.34 Å) and two longer (2.45 Å) Fe–Fe bond lengths. There are one shorter (2.64 Å) and two longer (2.77 Å) Fe–Si bond lengths. Si is bonded in a 1-coordinate geometry to one Ta and twelve Fe atoms.

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Materials Data on La2Ta2O9 by Materials Project

La2Ta2O9 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.42–2.63 Å. Ta is bonded to six O atoms to form a mixture of distorted corner and edge-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are a spread of Ta–O bond distances ranging from 1.92–2.22 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted rectangular see-saw-like geometry to two equivalent La and two equivalent Ta atoms. In the second O site, O is bonded in a distorted T-shaped geometry to one La and two equivalent Ta atoms. In the third O site, O is bonded in a linear geometry to two equivalent Ta atoms. In the fourth O site, O is bonded in a 4-coordinate geometry to three equivalent La and one Ta atom. In the fifth O site, O is bonded in a distorted trigonal planar geometry to three equivalent La atoms.

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Materials Data on Ta3Bi by Materials Project

Ta3Bi is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ta is bonded to eight equivalent Ta and four equivalent Bi atoms to form distorted TaTa8Bi4 cuboctahedra that share corners with twelve equivalent TaTa8Bi4 cuboctahedra, edges with eight equivalent BiTa12 cuboctahedra, edges with sixteen equivalent TaTa8Bi4 cuboctahedra, faces with four equivalent BiTa12 cuboctahedra, and faces with fourteen equivalent TaTa8Bi4 cuboctahedra. All Ta–Ta bond lengths are 3.03 Å. All Ta–Bi bond lengths are 3.03 Å. Bi is bonded to twelve equivalent Ta atoms to form BiTa12 cuboctahedra that share corners with twelve equivalent BiTa12 cuboctahedra, edges with twenty-four equivalent TaTa8Bi4 cuboctahedra, faces with six equivalent BiTa12 cuboctahedra, and faces with twelve equivalent TaTa8Bi4 cuboctahedra.

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Materials Data on TaRu3 by Materials Project

TaRu3 is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ta is bonded to six equivalent Ta and six equivalent Ru atoms to form distorted TaTa6Ru6 cuboctahedra that share corners with six equivalent TaTa6Ru6 cuboctahedra, corners with twelve equivalent RuRu12 cuboctahedra, edges with six equivalent TaTa6Ru6 cuboctahedra, edges with twelve equivalent RuTa3Ru9 cuboctahedra, faces with six equivalent TaTa6Ru6 cuboctahedra, and faces with fourteen RuRu12 cuboctahedra. All Ta–Ta bond lengths are 2.78 Å. All Ta–Ru bond lengths are 2.88 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to twelve Ru atoms to form RuRu12 cuboctahedra that share corners with six equivalent RuRu12 cuboctahedra, corners with twelve equivalent TaTa6Ru6 cuboctahedra, edges with eighteen RuRu12 cuboctahedra, faces with two equivalent TaTa6Ru6 cuboctahedra, and faces with eighteen RuRu12 cuboctahedra. There are six shorter (2.65 Å) and six longer (2.78 Å) Ru–Ru bond lengths. In the second Ru site, Ru is bonded to three equivalent Ta and nine Ru atoms to form distorted RuTa3Ru9 cuboctahedra that share corners with eighteen equivalent RuTa3Ru9 cuboctahedra, edges with six equivalent TaTa6Ru6 cuboctahedra, edges with twelve RuRu12 cuboctahedra, faces with six equivalent TaTa6Ru6 cuboctahedra, and faces with fourteen RuRu12 cuboctahedra. All Ru–Ru bond lengths are 2.78 Å.

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