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DOE OSTI2020

Materials Data on TcB by Materials Project

TcB is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tc3- is bonded to six equivalent B3+ atoms to form a mixture of distorted edge, face, and corner-sharing TcB6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Tc–B bond lengths are 2.23 Å. B3+ is bonded to six equivalent Tc3- atoms to form a mixture of distorted edge and corner-sharing BTc6 pentagonal pyramids.

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DOE OSTI2020

Materials Data on TcC by Materials Project

TcC is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tc4+ is bonded to six equivalent C4- atoms to form a mixture of edge and corner-sharing TcC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tc–C bond lengths are 2.17 Å. C4- is bonded to six equivalent Tc4+ atoms to form a mixture of edge and corner-sharing CTc6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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DOE OSTI2020

Materials Data on TcC by Materials Project

TcC is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tc4+ is bonded to four equivalent C4- atoms to form corner-sharing TcC4 tetrahedra. All Tc–C bond lengths are 2.01 Å. C4- is bonded to four equivalent Tc4+ atoms to form corner-sharing CTc4 tetrahedra.

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DOE OSTI2020

Materials Data on Tc3N by Materials Project

Tc3N is Molybdenite-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of one technetium molecule and one Tc2N sheet oriented in the (0, 0, 1) direction. In the Tc2N sheet, Tc1+ is bonded in a distorted T-shaped geometry to three equivalent N3- atoms. All Tc–N bond lengths are 2.14 Å. N3- is bonded to six equivalent Tc1+ atoms to form distorted edge-sharing NTc6 pentagonal pyramids.

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DOE OSTI2020

Materials Data on TcB2 by Materials Project

TcB2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tc6+ is bonded in a 8-coordinate geometry to eight equivalent B3- atoms. There are two shorter (2.23 Å) and six longer (2.26 Å) Tc–B bond lengths. B3- is bonded in a 7-coordinate geometry to four equivalent Tc6+ and three equivalent B3- atoms. All B–B bond lengths are 1.82 Å.

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DOE OSTI2020

Materials Data on TcN by Materials Project

TcN crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tc3+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Tc–N bond lengths are 2.03 Å. N3- is bonded in a square co-planar geometry to four equivalent Tc3+ atoms.

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DOE OSTI2020

Materials Data on TcF6 by Materials Project

TcF6 is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is zero-dimensional and consists of two 13842-93-8 molecules. Tc6+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Tc–F bond lengths are 1.86 Å. F1- is bonded in a single-bond geometry to one Tc6+ atom.

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DOE OSTI2020

Materials Data on Nb2TcOs by Materials Project

Nb2TcOs is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb+2.50+ is bonded in a body-centered cubic geometry to four equivalent Tc3- and four equivalent Os2- atoms. All Nb–Tc bond lengths are 2.77 Å. All Nb–Os bond lengths are 2.77 Å. Tc3- is bonded in a distorted body-centered cubic geometry to eight equivalent Nb+2.50+ atoms. Os2- is bonded in a body-centered cubic geometry to eight equivalent Nb+2.50+ atoms.

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DOE OSTI2020

Materials Data on Zr2TcPt by Materials Project

Zr2TcPt crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Zr2TcPt ribbons oriented in the (1, 0, 0) direction. Zr+2.50+ is bonded in a linear geometry to one Tc3- and one Pt2- atom. The Zr–Tc bond length is 2.23 Å. The Zr–Pt bond length is 2.46 Å. Tc3- is bonded in a linear geometry to two equivalent Zr+2.50+ atoms. Pt2- is bonded in a linear geometry to two equivalent Zr+2.50+ atoms.

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DOE OSTI2020

Materials Data on TcPt by Materials Project

TcPt crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tc2+ is bonded in a 6-coordinate geometry to six equivalent Pt2- atoms. All Tc–Pt bond lengths are 2.76 Å. Pt2- is bonded to six equivalent Tc2+ and six equivalent Pt2- atoms to form a mixture of distorted corner, edge, and face-sharing PtTc6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.78 Å.

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DOE OSTI2020

Materials Data on Tc2Pt(NO2)4 by Materials Project

Tc2Pt(NO2)4 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one Tc2Pt(NO2)4 ribbon oriented in the (0, 1, 0) direction. Tc7+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Tc–O bond distances ranging from 1.72–2.00 Å. Pt6+ is bonded in a square co-planar geometry to four N1- atoms. There is two shorter (1.98 Å) and two longer (1.99 Å) Pt–N bond length. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted bent 120 degrees geometry to one Pt6+ and one O2- atom. The N–O bond length is 1.25 Å. In the second N1- site, N1- is bonded in a distorted bent 120 degrees geometry to one Pt6+ and one O2- atom. The N–O bond length is 1.28 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Tc7+ and one N1- atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tc7+ and one N1- 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 single-bond geometry to one Tc7+ atom.

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Materials Data on TcSnO3 by Materials Project

TcSnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tc2+ is bonded to six equivalent O2- atoms to form TcO6 octahedra that share corners with six equivalent TcO6 octahedra and faces with eight equivalent SnO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tc–O bond lengths are 1.99 Å. Sn4+ is bonded to twelve equivalent O2- atoms to form SnO12 cuboctahedra that share corners with twelve equivalent SnO12 cuboctahedra, faces with six equivalent SnO12 cuboctahedra, and faces with eight equivalent TcO6 octahedra. All Sn–O bond lengths are 2.82 Å. O2- is bonded in a linear geometry to two equivalent Tc2+ and four equivalent Sn4+ atoms.

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Materials Data on Si2TcIr by Materials Project

TcIrSi2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TcIrSi2 ribbons oriented in the (1, 0, 0) direction. Tc3- is bonded in a linear geometry to two equivalent Si atoms. Both Tc–Si bond lengths are 2.30 Å. Ir3+ is bonded in a linear geometry to two equivalent Si atoms. Both Ir–Si bond lengths are 2.25 Å. Si is bonded in a linear geometry to one Tc3- and one Ir3+ atom.

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Materials Data on CrTcO3 by Materials Project

CrTcO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr3+ is bonded to twelve equivalent O2- atoms to form CrO12 cuboctahedra that share corners with twelve equivalent CrO12 cuboctahedra, faces with six equivalent CrO12 cuboctahedra, and faces with eight equivalent TcO6 octahedra. All Cr–O bond lengths are 2.75 Å. Tc3+ is bonded to six equivalent O2- atoms to form TcO6 octahedra that share corners with six equivalent TcO6 octahedra and faces with eight equivalent CrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tc–O bond lengths are 1.95 Å. O2- is bonded in a distorted linear geometry to four equivalent Cr3+ and two equivalent Tc3+ atoms.

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DOE OSTI2020

Materials Data on MnSi2Tc by Materials Project

TcMnSi2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TcMnSi2 ribbons oriented in the (1, 0, 0) direction. Tc3- is bonded in a linear geometry to two equivalent Si atoms. Both Tc–Si bond lengths are 2.35 Å. Mn3+ is bonded in a linear geometry to two equivalent Si atoms. Both Mn–Si bond lengths are 2.37 Å. Si is bonded in a linear geometry to one Tc3- and one Mn3+ atom.

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Materials Data on TcO2 by Materials Project

TcO2 is beta Vanadium nitride-like structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Tc4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing TcO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There is two shorter (1.96 Å) and four longer (2.03 Å) Tc–O bond length. O2- is bonded in a distorted T-shaped geometry to three equivalent Tc4+ atoms.

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DOE OSTI2020

Materials Data on Rb2TcI6 by Materials Project

Rb2TcI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent I1- atoms to form RbI12 cuboctahedra that share corners with twelve equivalent RbI12 cuboctahedra, faces with six equivalent RbI12 cuboctahedra, and faces with four equivalent TcI6 octahedra. All Rb–I bond lengths are 4.03 Å. Tc4+ is bonded to six equivalent I1- atoms to form TcI6 octahedra that share faces with eight equivalent RbI12 cuboctahedra. All Tc–I bond lengths are 2.74 Å. I1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Tc4+ atom.

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DOE OSTI2020

Materials Data on Cs2TcF6 by Materials Project

Cs2TcF6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form distorted CsF12 cuboctahedra that share corners with six equivalent CsF12 cuboctahedra, corners with three equivalent TcF6 octahedra, faces with eight equivalent CsF12 cuboctahedra, and faces with three equivalent TcF6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are a spread of Cs–F bond distances ranging from 3.22–3.32 Å. Tc4+ is bonded to six equivalent F1- atoms to form TcF6 octahedra that share corners with six equivalent CsF12 cuboctahedra and faces with six equivalent CsF12 cuboctahedra. All Tc–F bond lengths are 1.98 Å. F1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Tc4+ atom.

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