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At least 793 records · Page 44
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DOE OSTI2020

Materials Data on V2CrRe by Materials Project

V2CrRe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a distorted body-centered cubic geometry to four equivalent Cr and four equivalent Re atoms. All V–Cr bond lengths are 2.58 Å. All V–Re bond lengths are 2.58 Å. Cr is bonded in a distorted body-centered cubic geometry to eight equivalent V and six equivalent Re atoms. All Cr–Re bond lengths are 2.98 Å. Re is bonded in a distorted body-centered cubic geometry to eight equivalent V and six equivalent Cr atoms.

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Materials Data on TiNbRe2 by Materials Project

TiNbRe2 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 eight equivalent Re atoms. All Ti–Re bond lengths are 2.75 Å. Nb is bonded in a body-centered cubic geometry to eight equivalent Re atoms. All Nb–Re bond lengths are 2.75 Å. Re is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Nb atoms.

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Materials Data on TiRe2W by Materials Project

TiWRe2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted body-centered cubic geometry to six equivalent W and eight equivalent Re atoms. All Ti–W bond lengths are 3.14 Å. All Ti–Re bond lengths are 2.72 Å. W is bonded in a distorted body-centered cubic geometry to six equivalent Ti and eight equivalent Re atoms. All W–Re bond lengths are 2.72 Å. Re is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent W atoms.

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Materials Data on LiZr2Re by Materials Project

LiZr2Re 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 eight equivalent Zr and six equivalent Re atoms. All Li–Zr bond lengths are 2.88 Å. All Li–Re bond lengths are 3.32 Å. Zr is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Re atoms. All Zr–Re bond lengths are 2.88 Å. Re is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Zr atoms.

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Materials Data on TiVRe2 by Materials Project

TiVRe2 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 eight equivalent Re atoms. All Ti–Re bond lengths are 2.67 Å. V is bonded in a body-centered cubic geometry to eight equivalent Re atoms. All V–Re bond lengths are 2.67 Å. Re is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent V atoms.

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Materials Data on Ti2MnRe by Materials Project

Ti2ReMn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted body-centered cubic geometry to four equivalent Re and four equivalent Mn atoms. All Ti–Re bond lengths are 2.65 Å. All Ti–Mn bond lengths are 2.65 Å. Re is bonded in a distorted body-centered cubic geometry to eight equivalent Ti and six equivalent Mn atoms. All Re–Mn bond lengths are 3.06 Å. Mn is bonded in a 8-coordinate geometry to eight equivalent Ti and six equivalent Re atoms.

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Materials Data on Rb3Re by Materials Project

Rb3Re is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 12-coordinate geometry to four equivalent Rb and four equivalent Re atoms. All Rb–Rb bond lengths are 4.11 Å. All Rb–Re bond lengths are 4.11 Å. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent Re atoms to form distorted RbRb8Re4 cuboctahedra that share corners with four equivalent RbRb8Re4 cuboctahedra, corners with eight equivalent ReRb12 cuboctahedra, edges with eight equivalent RbRb8Re4 cuboctahedra, faces with four equivalent RbRb8Re4 cuboctahedra, and faces with six equivalent ReRb12 cuboctahedra. All Rb–Re bond lengths are 4.27 Å. Re is bonded to twelve Rb atoms to form ReRb12 cuboctahedra that share corners with four equivalent ReRb12 cuboctahedra, corners with eight equivalent RbRb8Re4 cuboctahedra, edges with eight equivalent ReRb12 cuboctahedra, faces with four equivalent ReRb12 cuboctahedra, and faces with six equivalent RbRb8Re4 cuboctahedra.

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Materials Data on Na3Re by Materials Project

Na3Re is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Na and four equivalent Re atoms to form a mixture of distorted edge, face, and corner-sharing NaNa4Re4 tetrahedra. All Na–Na bond lengths are 3.23 Å. All Na–Re bond lengths are 3.23 Å. In the second Na site, Na is bonded in a 8-coordinate geometry to eight equivalent Na and six equivalent Re atoms. All Na–Re bond lengths are 3.73 Å. Re is bonded in a distorted body-centered cubic geometry to fourteen Na atoms.

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Materials Data on Eu3Re by Materials Project

Eu3Re is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Eu and four equivalent Re atoms to form a mixture of distorted corner, edge, and face-sharing EuEu4Re4 tetrahedra. All Eu–Eu bond lengths are 3.25 Å. All Eu–Re bond lengths are 3.25 Å. In the second Eu site, Eu is bonded in a 8-coordinate geometry to eight equivalent Eu and six equivalent Re atoms. All Eu–Re bond lengths are 3.75 Å. Re is bonded in a distorted body-centered cubic geometry to fourteen Eu atoms.

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Materials Data on Y(ReB)4 by Materials Project

Y(ReB)4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twelve equivalent Re and twelve equivalent B atoms. There are four shorter (3.08 Å) and eight longer (3.19 Å) Y–Re bond lengths. There are eight shorter (3.04 Å) and four longer (3.29 Å) Y–B bond lengths. Re is bonded in a 5-coordinate geometry to three equivalent Y and five equivalent B atoms. There are three shorter (2.22 Å) and two longer (2.34 Å) Re–B bond lengths. B is bonded in a 6-coordinate geometry to three equivalent Y, five equivalent Re, and one B atom. The B–B bond length is 1.81 Å.

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Materials Data on PrRe2SiC by Materials Project

PrRe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 4-coordinate geometry to three equivalent Si and four equivalent C atoms. There are one shorter (3.04 Å) and two longer (3.17 Å) Pr–Si bond lengths. All Pr–C bond lengths are 2.78 Å. Re is bonded in a single-bond geometry to three equivalent Si and one C atom. There are one shorter (2.51 Å) and two longer (2.54 Å) Re–Si bond lengths. The Re–C bond length is 1.97 Å. Si is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Re atoms. C is bonded to four equivalent Pr and two equivalent Re atoms to form a mixture of edge and corner-sharing CPr4Re2 octahedra. The corner-sharing octahedral tilt angles are 20°.

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Materials Data on VReMo by Materials Project

VMoRe is beta Np-derived structured and crystallizes in the orthorhombic Fmm2 space group. The structure is two-dimensional and consists of two VMoRe sheets oriented in the (0, 1, 0) direction. V is bonded in a 4-coordinate geometry to two equivalent Mo and two equivalent Re atoms. Both V–Mo bond lengths are 2.65 Å. Both V–Re bond lengths are 2.60 Å. Mo is bonded in a 4-coordinate geometry to two equivalent V and two equivalent Re atoms. Both Mo–Re bond lengths are 2.73 Å. Re is bonded in a 4-coordinate geometry to two equivalent V and two equivalent Mo atoms.

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Materials Data on Er5(ReO6)2 by Materials Project

Er5(ReO6)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to seven O2- atoms to form distorted ErO7 pentagonal bipyramids that share corners with two equivalent ErO6 octahedra, an edgeedge with one ErO6 octahedra, edges with two equivalent ReO6 octahedra, and edges with two equivalent ErO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 56°. There are a spread of Er–O bond distances ranging from 2.26–2.41 Å. In the second Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Er–O bond distances ranging from 2.25–2.48 Å. In the third Er3+ site, Er3+ is bonded to six O2- atoms to form ErO6 octahedra that share corners with four equivalent ReO6 octahedra, corners with four equivalent ErO7 pentagonal bipyramids, and edges with two equivalent ErO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There are two shorter (2.19 Å) and four longer (2.30 Å) Er–O bond lengths. Re+4.50+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with two equivalent ErO6 octahedra, edges with two equivalent ReO6 octahedra, and edges with two equivalent ErO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There are a spread of Re–O bond distances ranging from 1.97–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Er3+ and two equivalent Re+4.50+ atoms. In the second O2- site, O2- is bonded to three Er3+ and one Re+4.50+ atom to form distorted OEr3Re tetrahedra that share corners with ten OEr3Re tetrahedra, a cornercorner with one OEr2Re2 trigonal pyramid, edges with three OEr3Re tetrahedra, and edges with two equivalent OEr2Re2 trigonal pyramids. In the third O2- site, O2- is bonded to two Er3+ and two equivalent Re+4.50+ atoms to form distorted OEr2Re2 trigonal pyramids that share corners with eight OEr3Re tetrahedra, edges with four equivalent OEr3Re tetrahedra, and an edgeedge with one OEr2Re2 trigonal pyramid. In the fourth O2- site, O2- is bonded to four Er3+ atoms to form OEr4 tetrahedra that share corners with ten OEr3Re tetrahedra, corners with three equivalent OEr2Re2 trigonal pyramids, and edges with four OEr3Re tetrahedra.

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Materials Data on TaAlRe2 by Materials Project

TaRe2Al crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TaRe2Al 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 2.28 Å. Re is bonded in a linear geometry to one Ta and one Al atom. The Re–Al bond length is 2.49 Å. Al is bonded in a linear geometry to two equivalent Re atoms.

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Materials Data on TaNbRe2 by Materials Project

TaNbRe2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TaNbRe2 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. Nb is bonded in a linear geometry to two equivalent Re atoms. Both Nb–Re bond lengths are 2.29 Å. Re is bonded in a linear geometry to one Ta and one Nb atom.

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Materials Data on NbReMo by Materials Project

NbMoRe is beta Np-derived structured and crystallizes in the orthorhombic Fmm2 space group. The structure is two-dimensional and consists of two NbMoRe sheets oriented in the (0, 1, 0) direction. Nb is bonded in a 4-coordinate geometry to two equivalent Mo and two equivalent Re atoms. Both Nb–Mo bond lengths are 2.82 Å. Both Nb–Re bond lengths are 2.78 Å. Mo is bonded in a 4-coordinate geometry to two equivalent Nb and two equivalent Re atoms. Both Mo–Re bond lengths are 2.70 Å. Re is bonded in a 4-coordinate geometry to two equivalent Nb and two equivalent Mo atoms.

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Materials Data on TaMnRe2 by Materials Project

TaRe2Mn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TaRe2Mn 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 2.32 Å. Re is bonded in a linear geometry to one Ta and one Mn atom. The Re–Mn bond length is 2.62 Å. Mn is bonded in a linear geometry to two equivalent Re atoms.

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Materials Data on ReMo2C by Materials Project

Mo2ReC is H-Phase-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded to nine Mo and three equivalent Re atoms to form distorted MoRe3Mo9 cuboctahedra that share corners with six equivalent MoRe3Mo9 cuboctahedra, corners with six equivalent CRe3Mo3 octahedra, edges with six equivalent MoRe3Mo9 cuboctahedra, edges with six equivalent CRe3Mo3 octahedra, and faces with six equivalent MoRe3Mo9 cuboctahedra. The corner-sharing octahedra tilt angles range from 17–18°. There are three shorter (2.88 Å) and six longer (2.98 Å) Mo–Mo bond lengths. All Mo–Re bond lengths are 2.82 Å. In the second Mo site, Mo is bonded in a 3-coordinate geometry to three equivalent Mo and three equivalent C atoms. All Mo–C bond lengths are 2.11 Å. Re is bonded in a 3-coordinate geometry to three equivalent Mo and three equivalent C atoms. All Re–C bond lengths are 2.10 Å. C is bonded to three equivalent Mo and three equivalent Re atoms to form CRe3Mo3 octahedra that share corners with six equivalent MoRe3Mo9 cuboctahedra, edges with six equivalent MoRe3Mo9 cuboctahedra, and edges with six equivalent CRe3Mo3 octahedra.

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