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DOE OSTI2020

Materials Data on CsTcNClO4 by Materials Project

CsTcNO4Cl crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to six O2- and three equivalent Cl1- atoms. There are a spread of Cs–O bond distances ranging from 3.21–3.64 Å. There are a spread of Cs–Cl bond distances ranging from 3.57–3.65 Å. Tc3+ is bonded in a 6-coordinate geometry to one N5+, four O2-, and one Cl1- atom. The Tc–N bond length is 1.65 Å. There is three shorter (1.97 Å) and one longer (1.98 Å) Tc–O bond length. The Tc–Cl bond length is 2.38 Å. N5+ is bonded in a single-bond geometry to one Tc3+ atom. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Cs1+, one Tc3+, and one O2- atom. The O–O bond length is 1.45 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Tc3+ and one O2- atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Cs1+, one Tc3+, and one O2- atom. The O–O bond length is 1.44 Å. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Cs1+, one Tc3+, and one O2- atom. Cl1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Tc3+ atom.

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DOE OSTI2020

Materials Data on TlTcIr2 by Materials Project

TcIr2Tl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tc is bonded in a distorted body-centered cubic geometry to eight equivalent Ir atoms. All Tc–Ir bond lengths are 2.80 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Tl atoms. All Ir–Tl bond lengths are 2.80 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2FeTc by Materials Project

Hf2TcFe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Fe atoms. All Hf–Tc bond lengths are 2.78 Å. All Hf–Fe bond lengths are 2.78 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Fe is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TcPbO3 by Materials Project

TcPbO3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are three inequivalent Tc4+ sites. In the first Tc4+ site, Tc4+ is bonded to six O2- atoms to form corner-sharing TcO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There is two shorter (1.98 Å) and four longer (1.99 Å) Tc–O bond length. In the second Tc4+ site, Tc4+ is bonded to six O2- atoms to form corner-sharing TcO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There is two shorter (1.98 Å) and four longer (1.99 Å) Tc–O bond length. In the third Tc4+ site, Tc4+ is bonded to six O2- atoms to form corner-sharing TcO6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Tc–O bond lengths are 1.99 Å. There are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a hexagonal planar geometry to six O2- atoms. There are four shorter (2.64 Å) and two longer (2.65 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded in a hexagonal planar geometry to six O2- atoms. There are four shorter (2.64 Å) and two longer (2.65 Å) Pb–O bond lengths. In the third Pb2+ site, Pb2+ is bonded in a hexagonal planar geometry to six O2- atoms. There are two shorter (2.64 Å) and four longer (2.65 Å) Pb–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Tc4+ and two Pb2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Tc4+ and two Pb2+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Tc4+ and two Pb2+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Tc4+ and two Pb2+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two Tc4+ and two Pb2+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Tc4+ and two equivalent Pb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc3Tc by Materials Project

Sc3Tc is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to eight equivalent Sc and four equivalent Tc atoms to form distorted ScSc8Tc4 cuboctahedra that share corners with four equivalent TcSc12 cuboctahedra, corners with fourteen equivalent ScSc8Tc4 cuboctahedra, edges with six equivalent TcSc12 cuboctahedra, edges with twelve equivalent ScSc8Tc4 cuboctahedra, faces with four equivalent TcSc12 cuboctahedra, and faces with sixteen equivalent ScSc8Tc4 cuboctahedra. There are six shorter (3.03 Å) and two longer (3.22 Å) Sc–Sc bond lengths. There are two shorter (2.96 Å) and two longer (3.13 Å) Sc–Tc bond lengths. Tc is bonded to twelve equivalent Sc atoms to form TcSc12 cuboctahedra that share corners with six equivalent TcSc12 cuboctahedra, corners with twelve equivalent ScSc8Tc4 cuboctahedra, edges with eighteen equivalent ScSc8Tc4 cuboctahedra, faces with eight equivalent TcSc12 cuboctahedra, and faces with twelve equivalent ScSc8Tc4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2GaTc by Materials Project

Sc2TcGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Ga atoms. All Sc–Tc bond lengths are 2.85 Å. All Sc–Ga bond lengths are 2.85 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2TcHg by Materials Project

Sc2TcHg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Hg atoms. All Sc–Tc bond lengths are 2.92 Å. All Sc–Hg bond lengths are 2.92 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Hg is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

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Materials Data on Sc2CuTc by Materials Project

Sc2TcCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Cu atoms. All Sc–Tc bond lengths are 2.81 Å. All Sc–Cu bond lengths are 2.81 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2TcAg by Materials Project

Sc2TcAg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Ag atoms. All Sc–Tc bond lengths are 2.88 Å. All Sc–Ag bond lengths are 2.88 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Ag is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2TcPd by Materials Project

Sc2TcPd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Pd atoms. All Sc–Tc bond lengths are 2.83 Å. All Sc–Pd bond lengths are 2.83 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2TcNi by Materials Project

Sc2TcNi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Ni atoms. All Sc–Tc bond lengths are 2.78 Å. All Sc–Ni bond lengths are 2.78 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Ni is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2AlTc by Materials Project

Sc2TcAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Al atoms. All Sc–Tc bond lengths are 2.87 Å. All Sc–Al bond lengths are 2.87 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Al is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiTm2Tc by Materials Project

LiTm2Tc is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. All Li–Tm bond lengths are 2.98 Å. Tm is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Tc atoms. All Tm–Tc bond lengths are 2.98 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2BeTc by Materials Project

BeSc2Tc is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. All Be–Sc bond lengths are 2.78 Å. Sc is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent Tc atoms. All Sc–Tc bond lengths are 2.78 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiDy2Tc by Materials Project

LiDy2Tc is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. All Li–Dy bond lengths are 3.02 Å. Dy is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Tc atoms. All Dy–Tc bond lengths are 3.02 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2CdTc by Materials Project

Sc2TcCd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Cd atoms. All Sc–Tc bond lengths are 2.92 Å. All Sc–Cd bond lengths are 2.92 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Cd is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaSiTc2 by Materials Project

PaTc2Si is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa3+ is bonded in a 6-coordinate geometry to six equivalent Si4- atoms. All Pa–Si bond lengths are 3.24 Å. Tc+0.50+ is bonded to four equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing TcSi4 tetrahedra. All Tc–Si bond lengths are 2.80 Å. Si4- is bonded in a 8-coordinate geometry to six equivalent Pa3+ and eight equivalent Tc+0.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti2CoTc by Materials Project

Ti2TcCo is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Co atoms. All Ti–Tc bond lengths are 2.63 Å. All Ti–Co bond lengths are 2.63 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Ti atoms. Co is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.

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