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At least 865 records · Page 48
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DOE OSTI2020

Materials Data on Li3Tc by Materials Project

Li3Tc is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent Tc3- atoms to form LiTc4 tetrahedra that share corners with twelve equivalent LiTc6 octahedra, corners with sixteen equivalent LiTc4 tetrahedra, edges with six equivalent LiTc4 tetrahedra, and faces with four equivalent LiTc6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Li–Tc bond lengths are 2.69 Å. In the second Li1+ site, Li1+ is bonded to six equivalent Tc3- atoms to form LiTc6 octahedra that share corners with six equivalent LiTc6 octahedra, corners with twenty-four equivalent LiTc4 tetrahedra, edges with twelve equivalent LiTc6 octahedra, and faces with eight equivalent LiTc4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Tc bond lengths are 3.10 Å. Tc3- is bonded in a distorted body-centered cubic geometry to fourteen Li1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li3Tc by Materials Project

Li3Tc crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four equivalent Tc3- atoms. All Li–Tc bond lengths are 2.80 Å. In the second Li1+ site, Li1+ is bonded in a square co-planar geometry to four equivalent Tc3- atoms. All Li–Tc bond lengths are 2.65 Å. Tc3- is bonded to twelve Li1+ atoms to form a mixture of edge, face, and corner-sharing TcLi12 cuboctahedra.

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DOE OSTI2020

Materials Data on ZrNbTc2 by Materials Project

ZrNbTc2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr4+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Zr–Tc bond lengths are 2.81 Å. Nb2+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Nb–Tc bond lengths are 2.81 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Zr4+ and four equivalent Nb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrTc2W by Materials Project

ZrWTc2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr4+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Zr–Tc bond lengths are 2.78 Å. W2+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All W–Tc bond lengths are 2.78 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Zr4+ and four equivalent W2+ atoms.

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DOE OSTI2020

Materials Data on Si2TcOs by Materials Project

TcOsSi2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tc3- is bonded in a 8-coordinate geometry to six equivalent Os3+ and eight equivalent Si atoms. All Tc–Os bond lengths are 2.96 Å. All Tc–Si bond lengths are 2.57 Å. Os3+ is bonded in a 8-coordinate geometry to six equivalent Tc3- and eight equivalent Si atoms. All Os–Si bond lengths are 2.57 Å. Si is bonded in a 8-coordinate geometry to four equivalent Tc3- and four equivalent Os3+ atoms.

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DOE OSTI2020

Materials Data on HfScTc2 by Materials Project

ScHfTc2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ScHfTc2 ribbons oriented in the (1, 0, 0) direction. Sc2+ is bonded in a linear geometry to two equivalent Tc3- atoms. Both Sc–Tc bond lengths are 2.36 Å. Hf4+ is bonded in a linear geometry to two equivalent Tc3- atoms. Both Hf–Tc bond lengths are 2.32 Å. Tc3- is bonded in a linear geometry to one Sc2+ and one Hf4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3Tc by Materials Project

K3Tc is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four equivalent Tc3- atoms to form a mixture of distorted edge and corner-sharing KTc4 tetrahedra. All K–Tc bond lengths are 3.96 Å. In the second K1+ site, K1+ is bonded in a square co-planar geometry to four equivalent Tc3- atoms. All K–Tc bond lengths are 4.07 Å. Tc3- is bonded to twelve K1+ atoms to form a mixture of face, edge, and corner-sharing TcK12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tc2GeMo by Materials Project

MoTc2Ge crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MoTc2Ge ribbons oriented in the (1, 0, 0) direction. Mo2+ is bonded in a linear geometry to two equivalent Tc3- atoms. Both Mo–Tc bond lengths are 2.22 Å. Tc3- is bonded in a linear geometry to one Mo2+ and one Ge4+ atom. The Tc–Ge bond length is 2.38 Å. Ge4+ is bonded in a linear geometry to two equivalent Tc3- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2TcCl5O by Materials Project

K2TcOCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.30–3.70 Å. Tc5+ is bonded in a distorted octahedral geometry to one O2- and five Cl1- atoms. The Tc–O bond length is 1.67 Å. There are four shorter (2.40 Å) and one longer (2.57 Å) Tc–Cl bond lengths. O2- is bonded in a single-bond geometry to one Tc5+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Tc5+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Tc5+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Tc5+ atom. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Tc5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TcP4H36(C6Br)2 by Materials Project

TcP4H36(C6Br)2 is Copper structured and crystallizes in the tetragonal I-42m space group. The structure is zero-dimensional and consists of two TcP4H36(C6Br)2 clusters. Tc3- is bonded to four equivalent P5+ and two equivalent Br1- atoms to form TcP4Br2 octahedra that share corners with twelve CPH3 tetrahedra. All Tc–P bond lengths are 2.44 Å. Both Tc–Br bond lengths are 2.61 Å. There are two inequivalent C+3.92- sites. In the first C+3.92- site, C+3.92- is bonded to one P5+ and three H+0.89+ atoms to form distorted CPH3 tetrahedra that share a cornercorner with one TcP4Br2 octahedra and corners with two equivalent CPH3 tetrahedra. The corner-sharing octahedral tilt angles are 57°. The C–P bond length is 1.84 Å. All C–H bond lengths are 1.10 Å. In the second C+3.92- site, C+3.92- is bonded to one P5+ and three H+0.89+ atoms to form distorted CPH3 tetrahedra that share a cornercorner with one TcP4Br2 octahedra and corners with two CPH3 tetrahedra. The corner-sharing octahedral tilt angles are 62°. The C–P bond length is 1.85 Å. All C–H bond lengths are 1.10 Å. P5+ is bonded in a 4-coordinate geometry to one Tc3- and three C+3.92- atoms. There are five inequivalent H+0.89+ sites. In the first H+0.89+ site, H+0.89+ is bonded in a single-bond geometry to one C+3.92- atom. In the second H+0.89+ site, H+0.89+ is bonded in a single-bond geometry to one C+3.92- atom. In the third H+0.89+ site, H+0.89+ is bonded in a single-bond geometry to one C+3.92- atom. In the fourth H+0.89+ site, H+0.89+ is bonded in a single-bond geometry to one C+3.92- atom. In the fifth H+0.89+ site, H+0.89+ is bonded in a single-bond geometry to one C+3.92- atom. Br1- is bonded in a single-bond geometry to one Tc3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2TcH9 by Materials Project

K2TcH9 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to ten H+0.11+ atoms. There are eight shorter (2.71 Å) and two longer (2.93 Å) K–H bond lengths. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to fourteen H+0.11+ atoms. There are a spread of K–H bond distances ranging from 2.93–3.06 Å. There are two inequivalent Tc3- sites. In the first Tc3- site, Tc3- is bonded in a 9-coordinate geometry to nine H+0.11+ atoms. There is three shorter (1.66 Å) and six longer (1.70 Å) Tc–H bond length. In the second Tc3- site, Tc3- is bonded in a 9-coordinate geometry to nine H+0.11+ atoms. There is three shorter (1.66 Å) and six longer (1.70 Å) Tc–H bond length. There are four inequivalent H+0.11+ sites. In the first H+0.11+ site, H+0.11+ is bonded in a 1-coordinate geometry to three K1+ and one Tc3- atom. In the second H+0.11+ site, H+0.11+ is bonded in a single-bond geometry to two equivalent K1+ and one Tc3- atom. In the third H+0.11+ site, H+0.11+ is bonded in a 1-coordinate geometry to three K1+ and one Tc3- atom. In the fourth H+0.11+ site, H+0.11+ is bonded in a single-bond geometry to two equivalent K1+ and one Tc3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaTc2Sn by Materials Project

TaTc2Sn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TaTc2Sn ribbons oriented in the (1, 0, 0) direction. Ta4+ is bonded in a linear geometry to two equivalent Tc3- atoms. Both Ta–Tc bond lengths are 2.22 Å. Tc3- is bonded in a linear geometry to one Ta4+ and one Sn2+ atom. The Tc–Sn bond length is 2.61 Å. Sn2+ is bonded in a linear geometry to two equivalent Tc3- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlTc2Mo by Materials Project

MoTc2Al crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MoTc2Al ribbons oriented in the (1, 0, 0) direction. Mo3+ is bonded in a linear geometry to two equivalent Tc3- atoms. Both Mo–Tc bond lengths are 2.21 Å. Tc3- is bonded in a linear geometry to one Mo3+ and one Al3+ atom. The Tc–Al bond length is 2.52 Å. Al3+ is bonded in a linear geometry to two equivalent Tc3- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbGaTc2 by Materials Project

NbTc2Ga crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NbTc2Ga ribbons oriented in the (1, 0, 0) direction. Nb3+ is bonded in a linear geometry to two equivalent Tc3- atoms. Both Nb–Tc bond lengths are 2.24 Å. Tc3- is bonded in a linear geometry to one Nb3+ and one Ga3+ atom. The Tc–Ga bond length is 2.54 Å. Ga3+ is bonded in a linear geometry to two equivalent Tc3- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CuSiTc2 by Materials Project

Tc2CuSi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Tc2CuSi ribbons oriented in the (1, 0, 0) direction. Tc3- is bonded in a linear geometry to one Cu2+ and one Si4+ atom. The Tc–Cu bond length is 2.48 Å. The Tc–Si bond length is 2.28 Å. Cu2+ is bonded in a linear geometry to two equivalent Tc3- atoms. Si4+ is bonded in a linear geometry to two equivalent Tc3- atoms.

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DOE OSTI2020

Materials Data on HfTc2Mo by Materials Project

HfMoTc2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two HfMoTc2 ribbons oriented in the (1, 0, 0) direction. Hf4+ is bonded in a linear geometry to two equivalent Tc3- atoms. Both Hf–Tc bond lengths are 2.34 Å. Mo2+ is bonded in a linear geometry to two equivalent Tc3- atoms. Both Mo–Tc bond lengths are 2.21 Å. Tc3- is bonded in a linear geometry to one Hf4+ and one Mo2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiTc2Ge by Materials Project

Tc2GeSi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Tc2GeSi ribbons oriented in the (1, 0, 0) direction. Tc3- is bonded in a linear geometry to one Ge2+ and one Si4+ atom. The Tc–Ge bond length is 2.40 Å. The Tc–Si bond length is 2.30 Å. Ge2+ is bonded in a linear geometry to two equivalent Tc3- atoms. Si4+ is bonded in a linear geometry to two equivalent Tc3- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiTc2Mo by Materials Project

MoTc2Si crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MoTc2Si ribbons oriented in the (1, 0, 0) direction. Mo2+ is bonded in a linear geometry to two equivalent Tc3- atoms. Both Mo–Tc bond lengths are 2.24 Å. Tc3- is bonded in a linear geometry to one Mo2+ and one Si4+ atom. The Tc–Si bond length is 2.30 Å. Si4+ is bonded in a linear geometry to two equivalent Tc3- atoms.

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