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At least 883 records · Page 49

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.

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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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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.

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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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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.

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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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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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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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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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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.

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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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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.

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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.

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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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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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