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At least 1,027 records · Page 57
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DOE OSTI2020

Materials Data on SrTa2O7 by Materials Project

SrTa2O7 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two SrTa2O7 sheets 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 (2.75 Å) and four longer (2.81 Å) Sr–O bond lengths. Ta is bonded to six O atoms to form distorted 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 0–17°. There are a spread of Ta–O bond distances ranging from 1.83–2.19 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 to four equivalent Sr and two equivalent Ta atoms to form a mixture of distorted edge and corner-sharing OSr4Ta2 octahedra. The corner-sharing octahedral tilt angles are 0°.

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DOE OSTI2020

Materials Data on Ta2FeRe by Materials Project

Ta2ReFe crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ta2ReFe ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to one Re and one Fe atom. The Ta–Re bond length is 2.34 Å. The Ta–Fe bond length is 2.27 Å. Re is bonded in a linear geometry to two equivalent Ta atoms. Fe is bonded in a linear geometry to two equivalent Ta atoms.

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DOE OSTI2020

Materials Data on Ta2ReNi by Materials Project

Ta2ReNi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ta2ReNi ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to one Re and one Ni atom. The Ta–Re bond length is 2.28 Å. The Ta–Ni bond length is 2.34 Å. Re is bonded in a linear geometry to two equivalent Ta atoms. Ni is bonded in a linear geometry to two equivalent Ta atoms.

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DOE OSTI2020

Materials Data on TaPRu by Materials Project

TaRuP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta is bonded in a 5-coordinate geometry to six equivalent Ru and five equivalent P atoms. There are a spread of Ta–Ru bond distances ranging from 2.88–2.93 Å. There are a spread of Ta–P bond distances ranging from 2.64–2.72 Å. Ru is bonded in a 12-coordinate geometry to six equivalent Ta, two equivalent Ru, and four equivalent P atoms. Both Ru–Ru bond lengths are 2.78 Å. There are a spread of Ru–P bond distances ranging from 2.37–2.43 Å. P is bonded in a 9-coordinate geometry to five equivalent Ta and four equivalent Ru atoms.

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DOE OSTI2020

Materials Data on Ta2CuRe by Materials Project

Ta2ReCu crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ta2ReCu ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to one Re and one Cu atom. The Ta–Re bond length is 2.28 Å. The Ta–Cu bond length is 2.61 Å. Re is bonded in a linear geometry to two equivalent Ta atoms. Cu is bonded in a linear geometry to two equivalent Ta atoms.

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DOE OSTI2020

Materials Data on Ta2MnW by Materials Project

Ta2WMn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ta2WMn ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to one W and one Mn atom. The Ta–W bond length is 2.35 Å. The Ta–Mn bond length is 2.51 Å. W is bonded in a linear geometry to two equivalent Ta atoms. Mn is bonded in a linear geometry to two equivalent Ta atoms.

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DOE OSTI2020

Materials Data on Ta2NbRe by Materials Project

Ta2NbRe 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 Nb and four equivalent Re atoms. All Ta–Nb bond lengths are 2.82 Å. All Ta–Re bond lengths are 2.82 Å. Nb is bonded in a distorted body-centered cubic geometry to eight equivalent Ta and six equivalent Re atoms. All Nb–Re bond lengths are 3.25 Å. Re is bonded in a body-centered cubic geometry to eight equivalent Ta and six equivalent Nb atoms.

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DOE OSTI2020

Materials Data on ZrTaCo4 by Materials Project

ZrTaCo4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Ta and twelve equivalent Co atoms. All Zr–Ta bond lengths are 2.96 Å. All Zr–Co bond lengths are 2.83 Å. Ta is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Co atoms. All Ta–Co bond lengths are 2.83 Å. Co is bonded to three equivalent Zr, three equivalent Ta, and six equivalent Co atoms to form a mixture of corner, edge, and face-sharing CoZr3Ta3Co6 cuboctahedra. There are three shorter (2.41 Å) and three longer (2.42 Å) Co–Co bond lengths.

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DOE OSTI2020

Materials Data on Ta2RuW by Materials Project

Ta2WRu 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 W and four equivalent Ru atoms. All Ta–W bond lengths are 2.78 Å. All Ta–Ru bond lengths are 2.78 Å. W 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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DOE OSTI2020

Materials Data on Ta2MoRh by Materials Project

Ta2MoRh crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ta2MoRh ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to one Mo and one Rh atom. The Ta–Mo bond length is 2.23 Å. The Ta–Rh bond length is 2.32 Å. Mo 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 LiTa2Os by Materials Project

LiTa2Os crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiTa2Os ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Ta atoms. Both Li–Ta bond lengths are 2.98 Å. Ta is bonded in a linear geometry to one Li and one Os atom. The Ta–Os bond length is 2.22 Å. Os is bonded in a linear geometry to two equivalent Ta atoms.

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DOE OSTI2020

Materials Data on Ta2MoIr by Materials Project

Ta2MoIr crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ta2MoIr ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to one Mo and one Ir atom. The Ta–Mo bond length is 2.23 Å. The Ta–Ir bond length is 2.31 Å. Mo 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 Ta2NbTc by Materials Project

Ta2NbTc crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ta2NbTc ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to one Nb and one Tc atom. The Ta–Nb bond length is 2.39 Å. The Ta–Tc bond length is 2.25 Å. Nb is bonded in a linear geometry to two equivalent Ta atoms. Tc is bonded in a linear geometry to two equivalent Ta atoms.

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DOE OSTI2020

Materials Data on Eu3Ta by Materials Project

Eu3Ta is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a distorted body-centered cubic geometry to four equivalent Eu and four equivalent Ta atoms. All Eu–Eu bond lengths are 3.51 Å. All Eu–Ta bond lengths are 3.51 Å. In the second Eu site, Eu is bonded in a 8-coordinate geometry to eight equivalent Eu and six equivalent Ta atoms. All Eu–Ta bond lengths are 4.05 Å. Ta is bonded in a distorted body-centered cubic geometry to fourteen Eu atoms.

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DOE OSTI2020

Materials Data on Ta2OsRu by Materials Project

Ta2OsRu 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 Os and four equivalent Ru atoms. All Ta–Os bond lengths are 2.76 Å. All Ta–Ru bond lengths are 2.76 Å. Os 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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DOE OSTI2020

Materials Data on Ta2TiW by Materials Project

TiTa2W crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TiTa2W ribbons oriented in the (1, 0, 0) direction. Ti is bonded in a linear geometry to two equivalent Ta atoms. Both Ti–Ta bond lengths are 2.38 Å. Ta is bonded in a linear geometry to one Ti and one W atom. The Ta–W bond length is 2.35 Å. W is bonded in a linear geometry to two equivalent Ta atoms.

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DOE OSTI2020

Materials Data on TaTi3 by Materials Project

Ti3Ta crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded to eight Ti and four equivalent Ta atoms to form TiTa4Ti8 cuboctahedra that share corners with twelve equivalent TiTa4Ti8 cuboctahedra, edges with eight equivalent TaTi12 cuboctahedra, edges with sixteen TiTa4Ti8 cuboctahedra, faces with four equivalent TaTi12 cuboctahedra, and faces with fourteen TiTa4Ti8 cuboctahedra. There are four shorter (2.83 Å) and four longer (2.97 Å) Ti–Ti bond lengths. All Ti–Ta bond lengths are 2.97 Å. In the second Ti site, Ti is bonded to eight equivalent Ti and four equivalent Ta atoms to form TiTa4Ti8 cuboctahedra that share corners with four equivalent TiTa4Ti8 cuboctahedra, corners with eight equivalent TaTi12 cuboctahedra, edges with twenty-four TiTa4Ti8 cuboctahedra, faces with six equivalent TaTi12 cuboctahedra, and faces with twelve TiTa4Ti8 cuboctahedra. All Ti–Ta bond lengths are 2.83 Å. Ta is bonded to twelve Ti atoms to form TaTi12 cuboctahedra that share corners with four equivalent TaTi12 cuboctahedra, corners with eight equivalent TiTa4Ti8 cuboctahedra, edges with eight equivalent TaTi12 cuboctahedra, edges with sixteen equivalent TiTa4Ti8 cuboctahedra, faces with four equivalent TaTi12 cuboctahedra, and faces with fourteen TiTa4Ti8 cuboctahedra.

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DOE OSTI2020

Materials Data on TaMoW by Materials Project

TaWMo crystallizes in the orthorhombic Fmm2 space group. The structure is two-dimensional and consists of two TaWMo sheets oriented in the (0, 1, 0) direction. Ta is bonded in a 4-coordinate geometry to two equivalent W and two equivalent Mo atoms. Both Ta–W bond lengths are 2.81 Å. Both Ta–Mo bond lengths are 2.79 Å. W is bonded in a 4-coordinate geometry to two equivalent Ta and two equivalent Mo atoms. Both W–Mo bond lengths are 2.71 Å. Mo is bonded in a 4-coordinate geometry to two equivalent Ta and two equivalent W atoms.

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