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At least 1,153 records · Page 64
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DOE OSTI2020

Materials Data on Er2Tc2O7 by Materials Project

Er2Tc2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Er3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.22 Å) and six longer (2.45 Å) Er–O bond lengths. Tc4+ is bonded to six equivalent O2- atoms to form corner-sharing TcO6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Tc–O bond lengths are 2.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Er3+ atoms to form OEr4 tetrahedra that share corners with sixteen OEr4 tetrahedra and edges with six equivalent OEr2Tc2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Tc4+ atoms to form a mixture of distorted corner and edge-sharing OEr2Tc2 tetrahedra.

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DOE OSTI2020

Materials Data on Sm2Tc2O7 by Materials Project

Sm2Tc2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sm3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.26 Å) and six longer (2.53 Å) Sm–O bond lengths. Tc4+ is bonded to six equivalent O2- atoms to form corner-sharing TcO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Tc–O bond lengths are 2.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Tc4+ atoms to form a mixture of distorted edge and corner-sharing OSm2Tc2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2Tc2O7 by Materials Project

Dy2Tc2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Dy3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.23 Å) and six longer (2.47 Å) Dy–O bond lengths. Tc4+ is bonded to six equivalent O2- atoms to form corner-sharing TcO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Tc–O bond lengths are 2.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Tc4+ atoms to form a mixture of distorted corner and edge-sharing ODy2Tc2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Dy3+ atoms to form a mixture of corner and edge-sharing ODy4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TcSO6F by Materials Project

TcSO6F crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one TcSO6F sheet oriented in the (1, 0, 0) direction. Tc7+ is bonded in a 3-coordinate geometry to six O2- atoms. There are a spread of Tc–O bond distances ranging from 1.70–2.34 Å. S6+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. All S–O bond lengths are 1.46 Å. The S–F bond length is 1.57 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Tc7+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Tc7+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Tc7+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Tc7+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Tc7+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Tc7+ and one S6+ atom. F1- is bonded in a single-bond geometry to one S6+ atom.

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DOE OSTI2020

Materials Data on TcN by Materials Project

TcN is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tc3+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Tc–N bond lengths are 2.32 Å. N3- is bonded in a body-centered cubic geometry to eight equivalent Tc3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TcN by Materials Project

TcN is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tc3+ is bonded to four equivalent N3- atoms to form corner-sharing TcN4 tetrahedra. All Tc–N bond lengths are 1.99 Å. N3- is bonded to four equivalent Tc3+ atoms to form corner-sharing NTc4 tetrahedra.

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DOE OSTI2020

Materials Data on TcN by Materials Project

TcN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tc3+ is bonded to six equivalent N3- atoms to form a mixture of edge and corner-sharing TcN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tc–N bond lengths are 2.16 Å. N3- is bonded to six equivalent Tc3+ atoms to form a mixture of edge and corner-sharing NTc6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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DOE OSTI2020

Materials Data on TcB by Materials Project

TcB is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tc3- is bonded in a body-centered cubic geometry to eight equivalent B3+ atoms. All Tc–B bond lengths are 2.37 Å. B3+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms.

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DOE OSTI2020

Materials Data on TcB by Materials Project

TcB is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tc3- is bonded to four equivalent B3+ atoms to form corner-sharing TcB4 tetrahedra. All Tc–B bond lengths are 2.05 Å. B3+ is bonded to four equivalent Tc3- atoms to form corner-sharing BTc4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TcB by Materials Project

TcB is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tc3- is bonded to six equivalent B3+ atoms to form a mixture of corner and edge-sharing TcB6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tc–B bond lengths are 2.20 Å. B3+ is bonded to six equivalent Tc3- atoms to form a mixture of corner and edge-sharing BTc6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on TcB by Materials Project

TcB is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tc3- is bonded to six equivalent B3+ atoms to form a mixture of distorted corner, edge, and face-sharing TcB6 pentagonal pyramids. All Tc–B bond lengths are 2.22 Å. B3+ is bonded to six equivalent Tc3- atoms to form a mixture of distorted corner, edge, and face-sharing BTc6 pentagonal pyramids.

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Materials Data on TcBr3 by Materials Project

TcBr3 crystallizes in the orthorhombic Pmmn space group. The structure is one-dimensional and consists of two TcBr3 ribbons oriented in the (1, 0, 0) direction. Tc3+ is bonded to six Br1- atoms to form face-sharing TcBr6 octahedra. There are a spread of Tc–Br bond distances ranging from 2.53–2.57 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Tc3+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Tc3+ atoms. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Tc3+ atoms. In the fourth Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Tc3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TcBr4 by Materials Project

TcBr4 crystallizes in the orthorhombic Pbca space group. The structure is one-dimensional and consists of four TcBr4 ribbons oriented in the (1, 0, 0) direction. Tc4+ is bonded to six Br1- atoms to form edge-sharing TcBr6 octahedra. There are a spread of Tc–Br bond distances ranging from 2.42–2.66 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Tc4+ atoms. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Tc4+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Tc4+ atom. In the fourth Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Tc4+ atoms.

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DOE OSTI2020

Materials Data on K2TcI6 by Materials Project

K2TcI6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.65–4.03 Å. Tc4+ is bonded in an octahedral geometry to six I1- atoms. All Tc–I bond lengths are 2.76 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Tc4+ atom. In the second I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Tc4+ atom. In the third I1- site, I1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Tc4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrTcCl by Materials Project

ZrTcCl is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr4+ is bonded to four equivalent Cl1- atoms to form distorted ZrCl4 tetrahedra that share corners with four equivalent TcCl4 tetrahedra, corners with twelve equivalent ZrCl4 tetrahedra, and edges with six equivalent TcCl4 tetrahedra. All Zr–Cl bond lengths are 2.59 Å. Tc3- is bonded to four equivalent Cl1- atoms to form distorted TcCl4 tetrahedra that share corners with four equivalent ZrCl4 tetrahedra, corners with twelve equivalent TcCl4 tetrahedra, and edges with six equivalent ZrCl4 tetrahedra. All Tc–Cl bond lengths are 2.59 Å. Cl1- is bonded in a body-centered cubic geometry to four equivalent Zr4+ and four equivalent Tc3- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TcNiW by Materials Project

WTcNi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of four nickel molecules and one WTc framework. In the WTc framework, W2+ is bonded to four equivalent Tc3- atoms to form corner-sharing WTc4 tetrahedra. All W–Tc bond lengths are 2.53 Å. Tc3- is bonded to four equivalent W2+ atoms to form corner-sharing TcW4 tetrahedra.

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DOE OSTI2020

Materials Data on KTcO4 by Materials Project

KTcO4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.87 Å) and four longer (2.94 Å) K–O bond lengths. Tc7+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Tc–O bond lengths are 1.74 Å. O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Tc7+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2TcPt by Materials Project

Sc2TcPt is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc+2.50+ is bonded in a body-centered cubic geometry to four equivalent Tc3- and four equivalent Pt2- atoms. All Sc–Tc bond lengths are 2.82 Å. All Sc–Pt bond lengths are 2.82 Å. Tc3- is bonded in a body-centered cubic geometry to eight equivalent Sc+2.50+ atoms. Pt2- is bonded in a body-centered cubic geometry to eight equivalent Sc+2.50+ atoms.

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