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At least 811 records · Page 45
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DOE OSTI2020

Materials Data on TaNbRe2 by Materials Project

TaNbRe2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to eight equivalent Re atoms. All Ta–Re bond lengths are 2.78 Å. Nb is bonded in a body-centered cubic geometry to eight equivalent Re atoms. All Nb–Re bond lengths are 2.78 Å. Re is bonded in a body-centered cubic geometry to four equivalent Ta and four equivalent Nb atoms.

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Materials Data on HfNbRe2 by Materials Project

HfNbRe2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two HfNbRe2 ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to two equivalent Re atoms. Both Hf–Re bond lengths are 2.45 Å. Nb is bonded in a linear geometry to two equivalent Re atoms. Both Nb–Re bond lengths are 2.36 Å. Re is bonded in a linear geometry to one Hf and one Nb atom.

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Materials Data on Pa3Re by Materials Project

Pa3Re is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pa sites. In the first Pa site, Pa is bonded to four equivalent Pa and four equivalent Re atoms to form a mixture of distorted corner, edge, and face-sharing PaPa4Re4 tetrahedra. All Pa–Pa bond lengths are 3.05 Å. All Pa–Re bond lengths are 3.05 Å. In the second Pa site, Pa is bonded in a 8-coordinate geometry to eight equivalent Pa and six equivalent Re atoms. All Pa–Re bond lengths are 3.53 Å. Re is bonded in a distorted body-centered cubic geometry to fourteen Pa atoms.

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Materials Data on HoRe2SiC by Materials Project

HoRe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 4-coordinate geometry to three equivalent Si and four equivalent C atoms. There are one shorter (3.03 Å) and two longer (3.12 Å) Ho–Si bond lengths. All Ho–C bond lengths are 2.73 Å. Re is bonded in a single-bond geometry to three equivalent Si and one C atom. There are one shorter (2.48 Å) and two longer (2.49 Å) Re–Si bond lengths. The Re–C bond length is 1.95 Å. Si is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent Re atoms. C is bonded to four equivalent Ho and two equivalent Re atoms to form a mixture of edge and corner-sharing CHo4Re2 octahedra. The corner-sharing octahedral tilt angles are 20°.

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Materials Data on TaVRe2 by Materials Project

TaVRe2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TaVRe2 ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to two equivalent Re atoms. Both Ta–Re bond lengths are 2.35 Å. V is bonded in a linear geometry to two equivalent Re atoms. Both V–Re bond lengths are 2.31 Å. Re is bonded in a linear geometry to one Ta and one V atom.

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Materials Data on Ta3Re by Materials Project

Ta3Re is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded to four equivalent Ta and four equivalent Re atoms to form a mixture of distorted corner, edge, and face-sharing TaTa4Re4 tetrahedra. All Ta–Ta bond lengths are 2.82 Å. All Ta–Re bond lengths are 2.82 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to eight equivalent Ta and six equivalent Re atoms. All Ta–Re bond lengths are 3.25 Å. Re is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms.

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Materials Data on Ta2MnRe by Materials Project

Ta2ReMn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a distorted body-centered cubic geometry to four equivalent Re and four equivalent Mn atoms. All Ta–Re bond lengths are 2.72 Å. All Ta–Mn bond lengths are 2.72 Å. Re is bonded in a distorted body-centered cubic geometry to eight equivalent Ta and six equivalent Mn atoms. All Re–Mn bond lengths are 3.15 Å. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Ta and six equivalent Re atoms.

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Materials Data on Tb5(ReO6)2 by Materials Project

Tb5(ReO6)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to seven O2- atoms to form distorted TbO7 pentagonal bipyramids that share corners with two equivalent TbO6 octahedra, an edgeedge with one TbO6 octahedra, edges with two equivalent ReO6 octahedra, and edges with two equivalent TbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 57°. There are a spread of Tb–O bond distances ranging from 2.30–2.44 Å. In the second Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tb–O bond distances ranging from 2.29–2.50 Å. In the third Tb3+ site, Tb3+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with four equivalent ReO6 octahedra, corners with four equivalent TbO7 pentagonal bipyramids, and edges with two equivalent TbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There are two shorter (2.24 Å) and four longer (2.33 Å) Tb–O bond lengths. Re+4.50+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with two equivalent TbO6 octahedra, edges with two equivalent ReO6 octahedra, and edges with two equivalent TbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There are a spread of Re–O bond distances ranging from 1.97–2.11 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Tb3+ and two equivalent Re+4.50+ atoms. In the second O2- site, O2- is bonded to three Tb3+ and one Re+4.50+ atom to form a mixture of distorted edge and corner-sharing OTb3Re tetrahedra. In the third O2- site, O2- is bonded to two Tb3+ and two equivalent Re+4.50+ atoms to form a mixture of distorted edge and corner-sharing OTb2Re2 tetrahedra. In the fourth O2- site, O2- is bonded to four Tb3+ atoms to form a mixture of edge and corner-sharing OTb4 tetrahedra.

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Materials Data on NbRe2Mo by Materials Project

NbMoRe2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NbMoRe2 ribbons oriented in the (1, 0, 0) direction. Nb is bonded in a linear geometry to two equivalent Re atoms. Both Nb–Re bond lengths are 2.37 Å. Mo is bonded in a linear geometry to two equivalent Re atoms. Both Mo–Re bond lengths are 2.31 Å. Re is bonded in a linear geometry to one Nb and one Mo atom.

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Materials Data on Yb5(ReO6)2 by Materials Project

Yb5(ReO6)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Yb–O bond distances ranging from 2.30–2.54 Å. In the second Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Yb–O bond distances ranging from 2.27–2.54 Å. In the third Yb3+ site, Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with four equivalent ReO6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are four shorter (2.32 Å) and two longer (2.35 Å) Yb–O bond lengths. Re+4.50+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with two equivalent YbO6 octahedra and edges with two equivalent ReO6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of Re–O bond distances ranging from 1.84–2.03 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Yb3+ and two equivalent Re+4.50+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Yb3+ and one Re+4.50+ atom. In the third O2- site, O2- is bonded to two Yb3+ and two equivalent Re+4.50+ atoms to form distorted OYb2Re2 tetrahedra that share corners with six equivalent OYb4 tetrahedra and an edgeedge with one OYb2Re2 tetrahedra. In the fourth O2- site, O2- is bonded to four Yb3+ atoms to form OYb4 tetrahedra that share corners with seven OYb2Re2 tetrahedra and edges with three equivalent OYb4 tetrahedra.

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Materials Data on DyRe2SiC by Materials Project

DyRe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 4-coordinate geometry to three equivalent Si and four equivalent C atoms. There are one shorter (3.03 Å) and two longer (3.12 Å) Dy–Si bond lengths. All Dy–C bond lengths are 2.73 Å. Re is bonded in a single-bond geometry to three equivalent Si and one C atom. There are one shorter (2.48 Å) and two longer (2.50 Å) Re–Si bond lengths. The Re–C bond length is 1.95 Å. Si is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Re atoms. C is bonded to four equivalent Dy and two equivalent Re atoms to form a mixture of corner and edge-sharing CDy4Re2 octahedra. The corner-sharing octahedral tilt angles are 20°.

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Materials Data on ErRe2SiC by Materials Project

ErRe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 4-coordinate geometry to three equivalent Si and four equivalent C atoms. There are one shorter (3.03 Å) and two longer (3.12 Å) Er–Si bond lengths. All Er–C bond lengths are 2.72 Å. Re is bonded in a single-bond geometry to three equivalent Si and one C atom. There are one shorter (2.48 Å) and two longer (2.49 Å) Re–Si bond lengths. The Re–C bond length is 1.95 Å. Si is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Re atoms. C is bonded to four equivalent Er and two equivalent Re atoms to form a mixture of corner and edge-sharing CEr4Re2 octahedra. The corner-sharing octahedral tilt angles are 20°.

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Materials Data on TaCrRe2 by Materials Project

TaCrRe2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TaCrRe2 ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to two equivalent Re atoms. Both Ta–Re bond lengths are 2.30 Å. Cr is bonded in a linear geometry to two equivalent Re atoms. Both Cr–Re bond lengths are 2.63 Å. Re is bonded in a linear geometry to one Ta and one Cr atom.

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Materials Data on VCrRe2 by Materials Project

VCrRe2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two VCrRe2 ribbons oriented in the (1, 0, 0) direction. V is bonded in a linear geometry to two equivalent Re atoms. Both V–Re bond lengths are 2.28 Å. Cr is bonded in a linear geometry to two equivalent Re atoms. Both Cr–Re bond lengths are 2.35 Å. Re is bonded in a linear geometry to one V and one Cr atom.

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Materials Data on AlReGe by Materials Project

ReAlGe is Protactinium-derived structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Re is bonded in a 10-coordinate geometry to five equivalent Al and five equivalent Ge atoms. There are four shorter (2.69 Å) and one longer (2.73 Å) Re–Al bond lengths. There are four shorter (2.66 Å) and one longer (2.79 Å) Re–Ge bond lengths. Al is bonded in a distorted q6 geometry to five equivalent Re and five equivalent Ge atoms. There are one shorter (2.68 Å) and four longer (2.71 Å) Al–Ge bond lengths. Ge is bonded in a distorted q6 geometry to five equivalent Re and five equivalent Al atoms.

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Materials Data on VRe2Mo by Materials Project

VMoRe2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two VMoRe2 ribbons oriented in the (1, 0, 0) direction. V is bonded in a linear geometry to two equivalent Re atoms. Both V–Re bond lengths are 2.12 Å. Mo is bonded in a linear geometry to two equivalent Re atoms. Both Mo–Re bond lengths are 2.21 Å. Re is bonded in a linear geometry to one V and one Mo atom.

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DOE OSTI2020

Materials Data on ZrNbRe2 by Materials Project

ZrNbRe2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ZrNbRe2 ribbons oriented in the (1, 0, 0) direction. Zr is bonded in a linear geometry to two equivalent Re atoms. Both Zr–Re bond lengths are 2.37 Å. Nb is bonded in a linear geometry to two equivalent Re atoms. Both Nb–Re bond lengths are 2.28 Å. Re is bonded in a linear geometry to one Zr and one Nb atom.

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Materials Data on VRe2W by Materials Project

VWRe2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two VWRe2 ribbons oriented in the (1, 0, 0) direction. V is bonded in a linear geometry to two equivalent Re atoms. Both V–Re bond lengths are 2.38 Å. W is bonded in a linear geometry to two equivalent Re atoms. Both W–Re bond lengths are 2.34 Å. Re is bonded in a linear geometry to one V and one W atom.

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