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At least 1,225 records · Page 68
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DOE OSTI2020

Materials Data on KTcO2 by Materials Project

KTcO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. K1+ is bonded to six equivalent O2- atoms to form edge-sharing KO6 octahedra. There are four shorter (2.59 Å) and two longer (2.87 Å) K–O bond lengths. Tc3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. All Tc–O bond lengths are 2.05 Å. O2- is bonded to three equivalent K1+ and two equivalent Tc3+ atoms to form a mixture of distorted edge and corner-sharing OK3Tc2 square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TcF4 by Materials Project

TcF4 crystallizes in the orthorhombic Pbca space group. The structure is one-dimensional and consists of four TcF4 ribbons oriented in the (1, 0, 0) direction. Tc4+ is bonded to six F1- atoms to form edge-sharing TcF6 octahedra. There are a spread of Tc–F bond distances ranging from 1.86–2.11 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Tc4+ atom. In the second F1- site, F1- is bonded in a water-like geometry to two equivalent Tc4+ atoms. In the third F1- site, F1- is bonded in a water-like geometry to two equivalent Tc4+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Tc4+ atom.

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DOE OSTI2020

Materials Data on TcAs3 by Materials Project

TcAs3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tc1+ is bonded in a distorted body-centered cubic geometry to fourteen As+0.33- atoms. There are eight shorter (2.79 Å) and six longer (3.22 Å) Tc–As bond lengths. There are two inequivalent As+0.33- sites. In the first As+0.33- site, As+0.33- is bonded in a distorted body-centered cubic geometry to four equivalent Tc1+ and four equivalent As+0.33- atoms. All As–As bond lengths are 2.79 Å. In the second As+0.33- site, As+0.33- is bonded in a 8-coordinate geometry to six equivalent Tc1+ and eight equivalent As+0.33- atoms.

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DOE OSTI2020

Materials Data on Zr2TcOs by Materials Project

Zr2TcOs is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr+2.50+ is bonded in a body-centered cubic geometry to four equivalent Tc3- and four equivalent Os2- atoms. All Zr–Tc bond lengths are 2.85 Å. All Zr–Os bond lengths are 2.85 Å. Tc3- is bonded in a body-centered cubic geometry to eight equivalent Zr+2.50+ atoms. Os2- is bonded in a body-centered cubic geometry to eight equivalent Zr+2.50+ atoms.

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DOE OSTI2020

Materials Data on CrSi2Tc by Materials Project

CrTcSi2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two CrTcSi2 ribbons oriented in the (1, 0, 0) direction. Cr3+ is bonded in a linear geometry to two equivalent Si atoms. Both Cr–Si bond lengths are 2.42 Å. Tc3- is bonded in a linear geometry to two equivalent Si atoms. Both Tc–Si bond lengths are 2.31 Å. Si is bonded in a linear geometry to one Cr3+ and one Tc3- atom.

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DOE OSTI2020

Materials Data on TcW by Materials Project

WTc crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two WTc sheets oriented in the (0, 1, 0) direction. W3+ is bonded in a 4-coordinate geometry to four equivalent Tc3- atoms. All W–Tc bond lengths are 2.70 Å. Tc3- is bonded in a 4-coordinate geometry to four equivalent W3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TcCl3 by Materials Project

TcCl3 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three TcCl3 sheets oriented in the (0, 0, 1) direction. Tc3+ is bonded to five Cl1- atoms to form a mixture of distorted edge and corner-sharing TcCl5 square pyramids. There are a spread of Tc–Cl bond distances ranging from 2.25–2.71 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Tc3+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Tc3+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Tc3+ atom.

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DOE OSTI2020

Materials Data on YbTcO3 by Materials Project

YbTcO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb3+ is bonded to twelve equivalent O2- atoms to form YbO12 cuboctahedra that share corners with twelve equivalent YbO12 cuboctahedra, faces with six equivalent YbO12 cuboctahedra, and faces with eight equivalent TcO6 octahedra. All Yb–O bond lengths are 2.76 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 YbO12 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 Yb3+ and two equivalent Tc3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ReSi2Tc by Materials Project

ReTcSi2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ReTcSi2 ribbons oriented in the (1, 0, 0) direction. Re3+ is bonded in a linear geometry to two equivalent Si atoms. Both Re–Si bond lengths are 2.32 Å. Tc3- is bonded in a linear geometry to two equivalent Si atoms. Both Tc–Si bond lengths are 2.31 Å. Si is bonded in a linear geometry to one Re3+ and one Tc3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2TcO4 by Materials Project

Sr2TcO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are one shorter (2.45 Å) and eight longer (2.76 Å) Sr–O bond lengths. Tc4+ is bonded to six O2- atoms to form corner-sharing TcO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.94 Å) and two longer (2.14 Å) Tc–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five equivalent Sr2+ and one Tc4+ atom to form a mixture of edge and corner-sharing OSr5Tc octahedra. The corner-sharing octahedra tilt angles range from 0–8°. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Tc4+ atoms.

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DOE OSTI2020

Materials Data on Cs2TcCl6 by Materials Project

Cs2TcCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with four equivalent TcCl6 octahedra. All Cs–Cl bond lengths are 3.75 Å. Tc4+ is bonded to six equivalent Cl1- atoms to form TcCl6 octahedra that share faces with eight equivalent CsCl12 cuboctahedra. All Tc–Cl bond lengths are 2.38 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Tc4+ atom.

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DOE OSTI2020

Materials Data on TcNO2 by Materials Project

TcNO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional and consists of two TcNO2 frameworks. Tc7+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. All Tc–O bond lengths are 2.02 Å. N3- is bonded in a distorted linear geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.69 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Tc7+ and one N3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TcCl3 by Materials Project

TcCl3 is Aluminum trichloride structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one TcCl3 sheet oriented in the (0, 0, 1) direction. Tc3+ is bonded to six Cl1- atoms to form edge-sharing TcCl6 octahedra. There are a spread of Tc–Cl bond distances ranging from 2.33–2.46 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Tc3+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Tc3+ atoms.

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DOE OSTI2020

Materials Data on ScSi2Tc by Materials Project

ScTcSi2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ScTcSi2 ribbons oriented in the (1, 0, 0) direction. Sc3+ is bonded in a linear geometry to two equivalent Si atoms. Both Sc–Si bond lengths are 2.50 Å. Tc3- is bonded in a linear geometry to two equivalent Si atoms. Both Tc–Si bond lengths are 2.32 Å. Si is bonded in a distorted linear geometry to one Sc3+ and one Tc3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuTcO3 by Materials Project

EuTcO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Eu3+ is bonded to twelve equivalent O2- atoms to form EuO12 cuboctahedra that share corners with twelve equivalent EuO12 cuboctahedra, faces with six equivalent EuO12 cuboctahedra, and faces with eight equivalent TcO6 octahedra. All Eu–O bond lengths are 2.81 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 EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tc–O bond lengths are 1.98 Å. O2- is bonded in a distorted linear geometry to four equivalent Eu3+ and two equivalent Tc3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr2TcOs by Materials Project

Zr2TcOs crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Zr2TcOs ribbons oriented in the (1, 0, 0) direction. Zr+2.50+ is bonded in a linear geometry to one Tc3- and one Os2- atom. The Zr–Tc bond length is 2.30 Å. The Zr–Os bond length is 2.32 Å. Tc3- is bonded in a linear geometry to two equivalent Zr+2.50+ atoms. Os2- is bonded in a linear geometry to two equivalent Zr+2.50+ atoms.

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DOE OSTI2020

Materials Data on SiTc by Materials Project

TcSi is alpha-derived structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Tc4+ is bonded in a 7-coordinate geometry to seven equivalent Si4- atoms. There are a spread of Tc–Si bond distances ranging from 2.41–2.69 Å. Si4- is bonded in a 7-coordinate geometry to seven equivalent Tc4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrTcO3 by Materials Project

SrTcO3 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent TcO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.62–3.01 Å. Tc4+ is bonded to six O2- atoms to form TcO6 octahedra that share corners with six equivalent TcO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 8–11°. There is four shorter (1.99 Å) and two longer (2.00 Å) Tc–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+ and two equivalent Tc4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+ and two equivalent Tc4+ atoms.

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