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At least 883 records · Page 49
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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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeTc2Ge by Materials Project

Tc2FeGe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tc3- is bonded in a body-centered cubic geometry to four equivalent Fe2+ and four equivalent Ge4+ atoms. All Tc–Fe bond lengths are 2.61 Å. All Tc–Ge bond lengths are 2.61 Å. Fe2+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. Ge4+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms.

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Materials Data on Li2TcO3 by Materials Project

Li2TcO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four TcO6 octahedra, edges with four TcO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 1–4°. There are a spread of Li–O bond distances ranging from 2.03–2.14 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six LiO6 octahedra, edges with six LiO6 octahedra, and edges with six TcO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Li–O bond distances ranging from 2.00–2.02 Å. In the third Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four TcO6 octahedra, edges with four TcO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. There are a spread of Li–O bond distances ranging from 2.06–2.11 Å. There are two inequivalent Tc4+ sites. In the first Tc4+ site, Tc4+ is bonded to six O2- atoms to form TcO6 octahedra that share corners with six LiO6 octahedra, edges with three equivalent TcO6 octahedra, and edges with nine LiO6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are four shorter (2.05 Å) and two longer (2.06 Å) Tc–O bond lengths. In the second Tc4+ site, Tc4+ is bonded to six O2- atoms to form TcO6 octahedra that share corners with six LiO6 octahedra, edges with three equivalent TcO6 octahedra, and edges with nine LiO6 octahedra. The corner-sharing octahedra tilt angles range from 2–3°. All Tc–O bond lengths are 2.05 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Li1+ and two Tc4+ atoms to form a mixture of edge and corner-sharing OLi4Tc2 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the second O2- site, O2- is bonded to four Li1+ and two Tc4+ atoms to form a mixture of edge and corner-sharing OLi4Tc2 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the third O2- site, O2- is bonded to four Li1+ and two Tc4+ atoms to form a mixture of edge and corner-sharing OLi4Tc2 octahedra. The corner-sharing octahedra tilt angles range from 0–3°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BeSiTc2 by Materials Project

BeTc2Si crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BeTc2Si ribbons oriented in the (1, 0, 0) direction. Be2+ is bonded in a linear geometry to two equivalent Tc3- atoms. Both Be–Tc bond lengths are 2.31 Å. Tc3- is bonded in a linear geometry to one Be2+ and one Si4+ atom. The Tc–Si bond length is 2.27 Å. Si4+ is bonded in a linear geometry to two equivalent Tc3- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiCrTc2 by Materials Project

TiCrTc2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti4+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Ti–Tc bond lengths are 2.63 Å. Cr2+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Cr–Tc bond lengths are 2.63 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Ti4+ and four equivalent Cr2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbAlTc2 by Materials Project

NbTc2Al crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NbTc2Al 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 Al3+ atom. The Tc–Al bond length is 2.54 Å. Al3+ is bonded in a linear geometry to two equivalent Tc3- atoms.

36 MATERIALS SCIENCE↗
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Materials Data on TcC5ClO5 by Materials Project

TcC5O5Cl is beta Sn-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four TcC5O5Cl clusters. Tc1- is bonded in an octahedral geometry to five C+2.40+ and one Cl1- atom. There are a spread of Tc–C bond distances ranging from 1.92–2.02 Å. The Tc–Cl bond length is 2.51 Å. There are three inequivalent C+2.40+ sites. In the first C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Tc1- and one O2- atom. The C–O bond length is 1.15 Å. In the second C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Tc1- and one O2- atom. The C–O bond length is 1.15 Å. In the third C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Tc1- and one O2- atom. The C–O bond length is 1.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. Cl1- is bonded in a single-bond geometry to one Tc1- atom.

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Materials Data on YNbTc2 by Materials Project

YNbTc2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two YNbTc2 ribbons oriented in the (1, 0, 0) direction. Y3+ is bonded in a linear geometry to two equivalent Tc3- atoms. Both Y–Tc bond lengths are 2.53 Å. Nb3+ is bonded in a linear geometry to two equivalent Tc3- atoms. Both Nb–Tc bond lengths are 2.25 Å. Tc3- is bonded in a linear geometry to one Y3+ and one Nb3+ atom.

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Materials Data on AlTc2Ge by Materials Project

Tc2AlGe crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Tc2AlGe ribbons oriented in the (1, 0, 0) direction. Tc3- is bonded in a linear geometry to one Al3+ and one Ge3+ atom. The Tc–Al bond length is 2.53 Å. The Tc–Ge bond length is 2.38 Å. Al3+ is bonded in a linear geometry to two equivalent Tc3- atoms. Ge3+ is bonded in a linear geometry to two equivalent Tc3- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na3Tc by Materials Project

Na3Tc is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four equivalent Tc3- atoms to form NaTc4 tetrahedra that share corners with twelve equivalent NaTc6 octahedra, corners with sixteen equivalent NaTc4 tetrahedra, edges with six equivalent NaTc4 tetrahedra, and faces with four equivalent NaTc6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Na–Tc bond lengths are 3.28 Å. In the second Na1+ site, Na1+ is bonded to six equivalent Tc3- atoms to form NaTc6 octahedra that share corners with six equivalent NaTc6 octahedra, corners with twenty-four equivalent NaTc4 tetrahedra, edges with twelve equivalent NaTc6 octahedra, and faces with eight equivalent NaTc4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Tc bond lengths are 3.78 Å. Tc3- is bonded in a body-centered cubic geometry to fourteen Na1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnTc2Ge by Materials Project

Tc2MnGe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tc3- is bonded in a body-centered cubic geometry to four equivalent Mn2+ and four equivalent Ge4+ atoms. All Tc–Mn bond lengths are 2.60 Å. All Tc–Ge bond lengths are 2.60 Å. Mn2+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. Ge4+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbTc2Sn by Materials Project

NbTc2Sn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NbTc2Sn ribbons oriented in the (1, 0, 0) direction. Nb2+ is bonded in a linear geometry to two equivalent Tc3- atoms. Both Nb–Tc bond lengths are 2.22 Å. Tc3- is bonded in a linear geometry to one Nb2+ and one Sn4+ atom. The Tc–Sn bond length is 2.63 Å. Sn4+ is bonded in a linear geometry to two equivalent Tc3- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlReTc2 by Materials Project

ReTc2Al crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ReTc2Al ribbons oriented in the (1, 0, 0) direction. Re3+ is bonded in a linear geometry to two equivalent Tc3- atoms. Both Re–Tc bond lengths are 2.21 Å. Tc3- is bonded in a linear geometry to one Re3+ and one Al3+ atom. The Tc–Al bond length is 2.49 Å. Al3+ is bonded in a linear geometry to two equivalent Tc3- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnSiTc2 by Materials Project

Tc2ZnSi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Tc2ZnSi ribbons oriented in the (1, 0, 0) direction. Tc3- is bonded in a linear geometry to one Zn2+ and one Si4+ atom. The Tc–Zn bond length is 2.64 Å. The Tc–Si bond length is 2.26 Å. Zn2+ 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 ZrTaTc2 by Materials Project

ZrTaTc2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ZrTaTc2 ribbons oriented in the (1, 0, 0) direction. Zr2+ is bonded in a linear geometry to two equivalent Tc3- atoms. Both Zr–Tc bond lengths are 2.35 Å. Ta4+ is bonded in a linear geometry to two equivalent Tc3- atoms. Both Ta–Tc bond lengths are 2.27 Å. Tc3- is bonded in a linear geometry to one Zr2+ and one Ta4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfTc2Mo by Materials Project

HfMoTc2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf4+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Hf–Tc bond lengths are 2.76 Å. Mo2+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Mo–Tc bond lengths are 2.76 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Hf4+ and four equivalent Mo2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiTc2Ge by Materials Project

TiTc2Ge crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TiTc2Ge ribbons oriented in the (1, 0, 0) direction. Ti2+ is bonded in a linear geometry to two equivalent Tc3- atoms. Both Ti–Tc bond lengths are 2.17 Å. Tc3- is bonded in a linear geometry to one Ti2+ and one Ge4+ atom. The Tc–Ge bond length is 2.40 Å. Ge4+ is bonded in a linear geometry to two equivalent Tc3- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnTc2Ge by Materials Project

Tc2MnGe crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Tc2MnGe ribbons oriented in the (1, 0, 0) direction. Tc3- is bonded in a linear geometry to one Mn2+ and one Ge4+ atom. The Tc–Mn bond length is 2.61 Å. The Tc–Ge bond length is 2.34 Å. Mn2+ is bonded in a linear geometry to two equivalent Tc3- atoms. Ge4+ is bonded in a linear geometry to two equivalent Tc3- atoms.

36 MATERIALS SCIENCE↗