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At least 1,207 records · Page 67
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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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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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DOE OSTI2020

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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DOE OSTI2020

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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DOE OSTI2020

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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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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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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Materials Data on CdTcO3 by Materials Project

TcCdO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tc4+ is bonded to six O2- atoms to form corner-sharing TcO6 octahedra. The corner-sharing octahedra tilt angles range from 34–35°. There are four shorter (2.04 Å) and two longer (2.06 Å) Tc–O bond lengths. Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cd–O bond distances ranging from 2.27–2.77 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Tc4+ and three equivalent Cd2+ atoms. In the second O2- site, O2- is bonded to two equivalent Tc4+ and two equivalent Cd2+ atoms to form distorted corner-sharing OCd2Tc2 tetrahedra.

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Materials Data on ReTc(PbO3)2 by Materials Project

Pb2TcReO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Re7+ is bonded to six equivalent O2- atoms to form ReO6 octahedra that share corners with six equivalent TcO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Re–O bond lengths are 1.98 Å. Tc1+ is bonded to six equivalent O2- atoms to form TcO6 octahedra that share corners with six equivalent ReO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tc–O bond lengths are 2.04 Å. Pb2+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share corners with twelve equivalent PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, faces with four equivalent ReO6 octahedra, and faces with four equivalent TcO6 octahedra. All Pb–O bond lengths are 2.84 Å. O2- is bonded in a distorted linear geometry to one Re7+, one Tc1+, and four equivalent Pb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na2TcF6 by Materials Project

Na2TcF6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent F1- atoms to form distorted NaF12 cuboctahedra that share corners with six equivalent NaF12 cuboctahedra, corners with three equivalent TcF6 octahedra, faces with eight equivalent NaF12 cuboctahedra, and faces with three equivalent TcF6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are a spread of Na–F bond distances ranging from 2.51–2.90 Å. Tc4+ is bonded to six equivalent F1- atoms to form TcF6 octahedra that share corners with six equivalent NaF12 cuboctahedra and faces with six equivalent NaF12 cuboctahedra. All Tc–F bond lengths are 1.97 Å. F1- is bonded in a 1-coordinate geometry to four equivalent Na1+ and one Tc4+ atom.

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Materials Data on TcB by Materials Project

TcB is alpha carbon monoxide-like structured and crystallizes in the hexagonal P6_3mc space group. The structure is zero-dimensional and consists of two TcB clusters. Tc3- is bonded in a single-bond geometry to one B3+ atom. The Tc–B bond length is 1.77 Å. B3+ is bonded in a single-bond geometry to one Tc3- atom.

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Materials Data on Rb2TcCl6 by Materials Project

Rb2TcCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with four equivalent TcCl6 octahedra. All Rb–Cl bond lengths are 3.67 Å. Tc4+ is bonded to six equivalent Cl1- atoms to form TcCl6 octahedra that share faces with eight equivalent RbCl12 cuboctahedra. All Tc–Cl bond lengths are 2.37 Å. Cl1- 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 CaTcO3 by Materials Project

CaTcO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.33–2.72 Å. Tc4+ is bonded to six O2- atoms to form corner-sharing TcO6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are a spread of Tc–O bond distances ranging from 2.01–2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+ and two equivalent Tc4+ atoms to form distorted corner-sharing OCa2Tc2 tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+ and two equivalent Tc4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs2Tc2O5 by Materials Project

Cs2Tc2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All Cs–O bond lengths are 3.14 Å. In the second Cs1+ site, Cs1+ is bonded to twelve O2- atoms to form CsO12 cuboctahedra that share corners with four equivalent CsO12 cuboctahedra, faces with four equivalent CsO12 cuboctahedra, and faces with eight equivalent TcO5 square pyramids. There are four shorter (2.79 Å) and eight longer (3.00 Å) Cs–O bond lengths. Tc4+ is bonded to five O2- atoms to form TcO5 square pyramids that share corners with five equivalent TcO5 square pyramids and faces with four equivalent CsO12 cuboctahedra. There are four shorter (1.98 Å) and one longer (2.06 Å) Tc–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four Cs1+ and two equivalent Tc4+ atoms. In the second O2- site, O2- is bonded to four equivalent Cs1+ and two equivalent Tc4+ atoms to form a mixture of corner and edge-sharing OCs4Tc2 octahedra. The corner-sharing octahedral tilt angles are 0°.

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