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At least 379 records · Page 21
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DOE OSTI2020

Materials Data on Yb3Tc by Materials Project

Yb3Tc is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to four equivalent Yb and four equivalent Tc atoms to form a mixture of distorted corner, edge, and face-sharing YbYb4Tc4 tetrahedra. All Yb–Yb bond lengths are 3.17 Å. All Yb–Tc bond lengths are 3.17 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to eight equivalent Yb and six equivalent Tc atoms. All Yb–Tc bond lengths are 3.66 Å. Tc is bonded in a distorted body-centered cubic geometry to fourteen Yb atoms.

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DOE OSTI2020

Materials Data on LiAl2Tc by Materials Project

LiTcAl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to six equivalent Tc and eight equivalent Al atoms. All Li–Tc bond lengths are 3.05 Å. All Li–Al bond lengths are 2.64 Å. Tc is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Al atoms. All Tc–Al bond lengths are 2.64 Å. Al is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Tc atoms.

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DOE OSTI2020

Materials Data on Ti2BeTc by Materials Project

BeTi2Tc is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be is bonded in a distorted body-centered cubic geometry to eight equivalent Ti and six equivalent Tc atoms. All Be–Ti bond lengths are 2.64 Å. All Be–Tc bond lengths are 3.05 Å. Ti is bonded in a distorted body-centered cubic geometry to four equivalent Be and four equivalent Tc atoms. All Ti–Tc bond lengths are 2.64 Å. Tc is bonded in a body-centered cubic geometry to six equivalent Be and eight equivalent Ti atoms.

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DOE OSTI2020

Materials Data on ZrTc2 by Materials Project

ZrTc2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Zr4+ is bonded in a 12-coordinate geometry to twelve Tc2- atoms. There are a spread of Zr–Tc bond distances ranging from 3.06–3.12 Å. There are three inequivalent Tc2- sites. In the first Tc2- site, Tc2- is bonded to six equivalent Zr4+ and six Tc2- atoms to form a mixture of edge, corner, and face-sharing TcZr6Tc6 cuboctahedra. All Tc–Tc bond lengths are 2.69 Å. In the second Tc2- site, Tc2- is bonded to six equivalent Zr4+ and six Tc2- atoms to form a mixture of edge, corner, and face-sharing TcZr6Tc6 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.53–2.69 Å. In the third Tc2- site, Tc2- is bonded to six equivalent Zr4+ and six Tc2- atoms to form a mixture of edge, corner, and face-sharing TcZr6Tc6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tc2GeAs by Materials Project

Tc2GeAs crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Tc2GeAs ribbons oriented in the (1, 0, 0) direction. Tc+0.50- is bonded in a linear geometry to one Ge4+ and one As3- atom. The Tc–Ge bond length is 2.38 Å. The Tc–As bond length is 2.33 Å. Ge4+ is bonded in a linear geometry to two equivalent Tc+0.50- atoms. As3- is bonded in a linear geometry to two equivalent Tc+0.50- atoms.

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DOE OSTI2020

Materials Data on HfSiTc2 by Materials Project

HfTc2Si crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two HfTc2Si ribbons oriented in the (1, 0, 0) direction. Hf4+ is bonded in a linear geometry to two equivalent Tc atoms. Both Hf–Tc bond lengths are 2.34 Å. Tc is bonded in a distorted linear geometry to one Hf4+ and one Si4- atom. The Tc–Si bond length is 2.30 Å. Si4- is bonded in a linear geometry to two equivalent Tc atoms.

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DOE OSTI2020

Materials Data on Tc3Se4I by Materials Project

Tc3Se4I crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Tc3+ sites. In the first Tc3+ site, Tc3+ is bonded to four Se2- and one I1- atom to form a mixture of edge and corner-sharing TcSe4I square pyramids. There are a spread of Tc–Se bond distances ranging from 2.50–2.53 Å. The Tc–I bond length is 2.84 Å. In the second Tc3+ site, Tc3+ is bonded to four Se2- and one I1- atom to form TcSe4I square pyramids that share corners with two TcSe5 square pyramids and edges with four TcSe4I square pyramids. There are a spread of Tc–Se bond distances ranging from 2.50–2.53 Å. The Tc–I bond length is 2.86 Å. In the third Tc3+ site, Tc3+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing TcSe5 square pyramids. There are a spread of Tc–Se bond distances ranging from 2.51–2.66 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to four Tc3+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three Tc3+ atoms. In the third Se2- site, Se2- is bonded in a 7-coordinate geometry to three Tc3+ atoms. In the fourth Se2- site, Se2- is bonded in a 6-coordinate geometry to three Tc3+ atoms. I1- is bonded in a bent 120 degrees geometry to two Tc3+ atoms.

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DOE OSTI2020

Materials Data on Tc2GeSb by Materials Project

Tc2GeSb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Tc2GeSb ribbons oriented in the (1, 0, 0) direction. Tc+0.50- is bonded in a linear geometry to one Ge4+ and one Sb3- atom. The Tc–Ge bond length is 2.37 Å. The Tc–Sb bond length is 2.55 Å. Ge4+ is bonded in a linear geometry to two equivalent Tc+0.50- atoms. Sb3- is bonded in a linear geometry to two equivalent Tc+0.50- atoms.

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DOE OSTI2020

Materials Data on SiTc2As by Materials Project

Tc2SiAs crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Tc2SiAs ribbons oriented in the (1, 0, 0) direction. Tc+0.50- is bonded in a linear geometry to one Si4+ and one As3- atom. The Tc–Si bond length is 2.29 Å. The Tc–As bond length is 2.34 Å. Si4+ is bonded in a linear geometry to two equivalent Tc+0.50- atoms. As3- is bonded in a linear geometry to two equivalent Tc+0.50- atoms.

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Materials Data on HfThTc2 by Materials Project

ThHfTc2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded in a body-centered cubic geometry to eight equivalent Tc atoms. All Th–Tc bond lengths are 2.95 Å. Hf is bonded in a body-centered cubic geometry to eight equivalent Tc atoms. All Hf–Tc bond lengths are 2.95 Å. Tc is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Hf atoms.

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DOE OSTI2020

Materials Data on ThPaTc2 by Materials Project

PaThTc2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa is bonded in a body-centered cubic geometry to eight equivalent Tc atoms. All Pa–Tc bond lengths are 3.04 Å. Th is bonded in a body-centered cubic geometry to eight equivalent Tc atoms. All Th–Tc bond lengths are 3.04 Å. Tc is bonded in a body-centered cubic geometry to four equivalent Pa and four equivalent Th atoms.

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DOE OSTI2020

Materials Data on HfAlTc2 by Materials Project

HfTc2Al crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two HfTc2Al ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to two equivalent Tc atoms. Both Hf–Tc bond lengths are 2.33 Å. Tc is bonded in a linear geometry to one Hf and one Al atom. The Tc–Al bond length is 2.48 Å. Al is bonded in a linear geometry to two equivalent Tc atoms.

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DOE OSTI2020

Materials Data on SiTc2P by Materials Project

Tc2SiP crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Tc2SiP ribbons oriented in the (1, 0, 0) direction. Tc+0.50- is bonded in a linear geometry to one Si4- and one P5+ atom. The Tc–Si bond length is 2.31 Å. The Tc–P bond length is 2.21 Å. Si4- is bonded in a linear geometry to two equivalent Tc+0.50- atoms. P5+ is bonded in a linear geometry to two equivalent Tc+0.50- atoms.

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DOE OSTI2020

Materials Data on TbTc2 by Materials Project

TbTc2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb4+ is bonded in a 12-coordinate geometry to twelve Tc2- atoms. There are a spread of Tb–Tc bond distances ranging from 3.16–3.18 Å. There are two inequivalent Tc2- sites. In the first Tc2- site, Tc2- is bonded to six equivalent Tb4+ and six equivalent Tc2- atoms to form a mixture of corner, edge, and face-sharing TcTb6Tc6 cuboctahedra. All Tc–Tc bond lengths are 2.75 Å. In the second Tc2- site, Tc2- is bonded to six equivalent Tb4+ and six Tc2- atoms to form a mixture of corner, edge, and face-sharing TcTb6Tc6 cuboctahedra. There are two shorter (2.62 Å) and two longer (2.77 Å) Tc–Tc bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Si7Tc4 by Materials Project

Tc4Si7 crystallizes in the tetragonal P-4c2 space group. The structure is three-dimensional. there are five inequivalent Tc3- sites. In the first Tc3- site, Tc3- is bonded in a 8-coordinate geometry to eight Si+1.71+ atoms. There are a spread of Tc–Si bond distances ranging from 2.43–2.70 Å. In the second Tc3- site, Tc3- is bonded in a 8-coordinate geometry to eight Si+1.71+ atoms. There are a spread of Tc–Si bond distances ranging from 2.41–2.76 Å. In the third Tc3- site, Tc3- is bonded in a 10-coordinate geometry to ten Si+1.71+ atoms. There are a spread of Tc–Si bond distances ranging from 2.41–2.84 Å. In the fourth Tc3- site, Tc3- is bonded in a 8-coordinate geometry to eight Si+1.71+ atoms. There are four shorter (2.51 Å) and four longer (2.52 Å) Tc–Si bond lengths. In the fifth Tc3- site, Tc3- is bonded in a 8-coordinate geometry to eight Si+1.71+ atoms. There are a spread of Tc–Si bond distances ranging from 2.47–2.59 Å. There are four inequivalent Si+1.71+ sites. In the first Si+1.71+ site, Si+1.71+ is bonded in a 5-coordinate geometry to five Tc3- atoms. In the second Si+1.71+ site, Si+1.71+ is bonded in a distorted pentagonal planar geometry to five Tc3- atoms. In the third Si+1.71+ site, Si+1.71+ is bonded in a distorted pentagonal planar geometry to five Tc3- atoms. In the fourth Si+1.71+ site, Si+1.71+ is bonded in a 4-coordinate geometry to four Tc3- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2MgTc by Materials Project

MgEr2Tc is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Er and six equivalent Tc atoms. All Mg–Er bond lengths are 3.06 Å. All Mg–Tc bond lengths are 3.54 Å. Er is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Tc atoms. All Er–Tc bond lengths are 3.06 Å. Tc is bonded in a body-centered cubic geometry to six equivalent Mg and eight equivalent Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThTc2 by Materials Project

ThTc2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th4+ is bonded in a 12-coordinate geometry to twelve Tc2- atoms. There are a spread of Th–Tc bond distances ranging from 3.11–3.42 Å. There are two inequivalent Tc2- sites. In the first Tc2- site, Tc2- is bonded to six equivalent Th4+ and six equivalent Tc2- atoms to form a mixture of corner, edge, and face-sharing TcTh6Tc6 cuboctahedra. All Tc–Tc bond lengths are 2.89 Å. In the second Tc2- site, Tc2- is bonded to six equivalent Th4+ and six Tc2- atoms to form a mixture of corner, edge, and face-sharing TcTh6Tc6 cuboctahedra. There are two shorter (2.59 Å) and two longer (2.68 Å) Tc–Tc bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaSiTc2 by Materials Project

TaTc2Si crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TaTc2Si ribbons oriented in the (1, 0, 0) direction. Ta5+ is bonded in a linear geometry to two equivalent Tc+0.50- atoms. Both Ta–Tc bond lengths are 2.25 Å. Tc+0.50- is bonded in a distorted linear geometry to one Ta5+ and one Si4- atom. The Tc–Si bond length is 2.31 Å. Si4- is bonded in a linear geometry to two equivalent Tc+0.50- atoms.

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