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At least 991 records · Page 55
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DOE OSTI2020

Materials Data on SrTa2O7 by Materials Project

SrTa2O7 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one SrTa2O7 sheet oriented in the (0, 0, 1) direction. Sr is bonded to twelve O atoms to form SrO12 cuboctahedra that share corners with four equivalent SrO12 cuboctahedra, faces with four equivalent SrO12 cuboctahedra, and faces with eight equivalent TaO6 octahedra. There are eight shorter (2.71 Å) and four longer (2.82 Å) Sr–O bond lengths. Ta is bonded to six O atoms to form TaO6 octahedra that share corners with five equivalent TaO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are a spread of Ta–O bond distances ranging from 1.90–2.05 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr and two equivalent Ta atoms. In the second O site, O is bonded in a single-bond geometry to one Ta atom. In the third O site, O is bonded in a distorted linear geometry to four equivalent Sr and two equivalent Ta atoms.

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Materials Data on CsEuTa6Cl18 by Materials Project

CsEuTa6Cl18 crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twelve Cl atoms. There are six shorter (3.85 Å) and six longer (3.99 Å) Cs–Cl bond lengths. Eu is bonded to six equivalent Cl atoms to form EuCl6 octahedra that share corners with six equivalent TaCl5 square pyramids. All Eu–Cl bond lengths are 2.88 Å. Ta is bonded to five Cl atoms to form distorted TaCl5 square pyramids that share a cornercorner with one EuCl6 octahedra and corners with four equivalent TaCl5 square pyramids. The corner-sharing octahedral tilt angles are 46°. There are a spread of Ta–Cl bond distances ranging from 2.45–2.62 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a 2-coordinate geometry to two equivalent Ta atoms. In the second Cl site, Cl is bonded in a 3-coordinate geometry to one Cs, one Eu, and one Ta atom. In the third Cl site, Cl is bonded in a 2-coordinate geometry to one Cs and two equivalent Ta atoms.

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Materials Data on Ta2MoW by Materials Project

Ta2WMo crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ta2WMo ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to one W and one Mo atom. The Ta–W bond length is 2.32 Å. The Ta–Mo bond length is 2.33 Å. W is bonded in a linear geometry to two equivalent Ta atoms. Mo is bonded in a linear geometry to two equivalent Ta atoms.

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DOE OSTI2020

Materials Data on TaFeAs by Materials Project

TaFeAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta is bonded in a 5-coordinate geometry to six equivalent Fe and five equivalent As atoms. There are a spread of Ta–Fe bond distances ranging from 2.82–2.96 Å. There are a spread of Ta–As bond distances ranging from 2.65–2.69 Å. Fe is bonded in a 4-coordinate geometry to six equivalent Ta and four equivalent As atoms. There are a spread of Fe–As bond distances ranging from 2.35–2.41 Å. As is bonded in a 9-coordinate geometry to five equivalent Ta and four equivalent Fe atoms.

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DOE OSTI2020

Materials Data on TaTiBe4 by Materials Project

Be4TiTa is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Be is bonded to six equivalent Be, three equivalent Ti, and three equivalent Ta atoms to form a mixture of corner, edge, and face-sharing BeTa3Ti3Be6 cuboctahedra. There are three shorter (2.28 Å) and three longer (2.29 Å) Be–Be bond lengths. All Be–Ti bond lengths are 2.68 Å. All Be–Ta bond lengths are 2.68 Å. Ti is bonded in a 12-coordinate geometry to twelve equivalent Be and four equivalent Ta atoms. All Ti–Ta bond lengths are 2.80 Å. Ta is bonded in a 12-coordinate geometry to twelve equivalent Be and four equivalent Ti atoms.

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Materials Data on TaAsRu by Materials Project

TaRuAs is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent As atoms. All Ta–Ru bond lengths are 2.63 Å. All Ta–As bond lengths are 2.63 Å. Ru is bonded to four equivalent Ta atoms to form RuTa4 tetrahedra that share corners with four equivalent AsTa4 tetrahedra, corners with twelve equivalent RuTa4 tetrahedra, and edges with six equivalent AsTa4 tetrahedra. As is bonded to four equivalent Ta atoms to form AsTa4 tetrahedra that share corners with four equivalent RuTa4 tetrahedra, corners with twelve equivalent AsTa4 tetrahedra, and edges with six equivalent RuTa4 tetrahedra.

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Materials Data on Ta2TcRu by Materials Project

Ta2TcRu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Ru atoms. All Ta–Tc bond lengths are 2.76 Å. All Ta–Ru bond lengths are 2.76 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Ta atoms. Ru is bonded in a body-centered cubic geometry to eight equivalent Ta atoms.

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Materials Data on Ta2TcOs by Materials Project

Ta2TcOs crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ta2TcOs ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to one Tc and one Os atom. The Ta–Tc bond length is 2.23 Å. The Ta–Os bond length is 2.27 Å. Tc is bonded in a linear geometry to two equivalent Ta atoms. Os is bonded in a linear geometry to two equivalent Ta atoms.

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Materials Data on TaNiAs by Materials Project

TaNiAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta is bonded in a 5-coordinate geometry to five equivalent Ni and five equivalent As atoms. There are a spread of Ta–Ni bond distances ranging from 2.83–2.90 Å. There are a spread of Ta–As bond distances ranging from 2.67–2.72 Å. Ni is bonded in a 4-coordinate geometry to five equivalent Ta and four equivalent As atoms. There are two shorter (2.36 Å) and two longer (2.37 Å) Ni–As bond lengths. As is bonded in a 9-coordinate geometry to five equivalent Ta and four equivalent Ni atoms.

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Materials Data on Ta2CrRe by Materials Project

Ta2CrRe crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ta2CrRe ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to one Cr and one Re atom. The Ta–Cr bond length is 2.64 Å. The Ta–Re bond length is 2.30 Å. Cr is bonded in a linear geometry to two equivalent Ta atoms. Re is bonded in a linear geometry to two equivalent Ta atoms.

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Materials Data on Rb3Ta by Materials Project

Rb3Ta is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to four equivalent Rb and four equivalent Ta atoms to form distorted RbRb4Ta4 cuboctahedra that share corners with eight equivalent TaRb12 cuboctahedra, corners with sixteen RbRb4Ta4 cuboctahedra, edges with four equivalent TaRb12 cuboctahedra, edges with sixteen RbRb4Ta4 cuboctahedra, and faces with six equivalent RbRb4Ta4 cuboctahedra. All Rb–Rb bond lengths are 4.19 Å. All Rb–Ta bond lengths are 4.19 Å. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent Ta atoms to form RbRb8Ta4 cuboctahedra that share corners with eight equivalent TaRb12 cuboctahedra, corners with twenty RbRb4Ta4 cuboctahedra, edges with sixteen RbRb4Ta4 cuboctahedra, faces with four equivalent RbRb8Ta4 cuboctahedra, and faces with six equivalent TaRb12 cuboctahedra. All Rb–Ta bond lengths are 4.32 Å. Ta is bonded to twelve Rb atoms to form TaRb12 cuboctahedra that share corners with four equivalent TaRb12 cuboctahedra, corners with twenty-four RbRb4Ta4 cuboctahedra, edges with eight equivalent RbRb4Ta4 cuboctahedra, edges with eight equivalent TaRb12 cuboctahedra, faces with four equivalent TaRb12 cuboctahedra, and faces with six equivalent RbRb8Ta4 cuboctahedra.

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Materials Data on Ta2VMo by Materials Project

Ta2VMo crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ta2VMo ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to one V and one Mo atom. The Ta–V bond length is 2.36 Å. The Ta–Mo bond length is 2.26 Å. V is bonded in a linear geometry to two equivalent Ta atoms. Mo is bonded in a linear geometry to two equivalent Ta atoms.

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Materials Data on Ta2IrW by Materials Project

Ta2WIr crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ta2WIr ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to one W and one Ir atom. The Ta–W bond length is 2.35 Å. The Ta–Ir bond length is 2.33 Å. W is bonded in a linear geometry to two equivalent Ta atoms. Ir is bonded in a linear geometry to two equivalent Ta atoms.

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DOE OSTI2020

Materials Data on Ta2RhW by Materials Project

Ta2WRh crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ta2WRh ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to one W and one Rh atom. The Ta–W bond length is 2.31 Å. The Ta–Rh bond length is 2.32 Å. W is bonded in a linear geometry to two equivalent Ta atoms. Rh is bonded in a linear geometry to two equivalent Ta atoms.

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DOE OSTI2020

Materials Data on Ta2TiRe by Materials Project

TiTa2Re is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 8-coordinate geometry to eight equivalent Ta and six equivalent Re atoms. All Ti–Ta bond lengths are 2.79 Å. All Ti–Re bond lengths are 3.23 Å. Ta is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent Re atoms. All Ta–Re bond lengths are 2.79 Å. Re is bonded in a distorted body-centered cubic geometry to six equivalent Ti and eight equivalent Ta atoms.

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DOE OSTI2020

Materials Data on Ta2CoRe by Materials Project

Ta2ReCo crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ta2ReCo ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to one Re and one Co atom. The Ta–Re bond length is 2.31 Å. The Ta–Co bond length is 2.23 Å. Re is bonded in a linear geometry to two equivalent Ta atoms. Co is bonded in a linear geometry to two equivalent Ta atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsCaTa6Cl18 by Materials Project

CsCaTa6Cl18 crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twelve Cl atoms. There are six shorter (3.86 Å) and six longer (3.97 Å) Cs–Cl bond lengths. Ca is bonded to six equivalent Cl atoms to form CaCl6 octahedra that share corners with six equivalent TaCl5 square pyramids. All Ca–Cl bond lengths are 2.82 Å. Ta is bonded to five Cl atoms to form distorted TaCl5 square pyramids that share a cornercorner with one CaCl6 octahedra and corners with four equivalent TaCl5 square pyramids. The corner-sharing octahedral tilt angles are 45°. There are four shorter (2.45 Å) and one longer (2.62 Å) Ta–Cl bond lengths. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a 2-coordinate geometry to two equivalent Ta atoms. In the second Cl site, Cl is bonded in a 3-coordinate geometry to one Cs, one Ca, and one Ta atom. In the third Cl site, Cl is bonded in a 2-coordinate geometry to one Cs and two equivalent Ta atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaMn2Ga by Materials Project

TaMn2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a distorted body-centered cubic geometry to eight equivalent Mn and six equivalent Ga atoms. All Ta–Mn bond lengths are 2.60 Å. All Ta–Ga bond lengths are 3.00 Å. Mn is bonded in a body-centered cubic geometry to four equivalent Ta and four equivalent Ga atoms. All Mn–Ga bond lengths are 2.60 Å. Ga is bonded in a distorted body-centered cubic geometry to six equivalent Ta and eight equivalent Mn atoms.

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