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At least 1,135 records · Page 63
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DOE OSTI2020

Materials Data on Na3Ru by Materials Project

Na3Ru is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Ru atoms to form a mixture of distorted edge and corner-sharing NaRu4 cuboctahedra. All Na–Ru bond lengths are 3.20 Å. In the second Na site, Na is bonded in a distorted square co-planar geometry to four equivalent Ru atoms. All Na–Ru bond lengths are 3.17 Å. Ru is bonded to twelve Na atoms to form a mixture of edge, corner, and face-sharing RuNa12 cuboctahedra.

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Materials Data on ScAlRu2 by Materials Project

ScRu2Al crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ScRu2Al ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to two equivalent Ru atoms. Both Sc–Ru bond lengths are 2.26 Å. Ru is bonded in a linear geometry to one Sc and one Al atom. The Ru–Al bond length is 2.41 Å. Al is bonded in a linear geometry to two equivalent Ru atoms.

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Materials Data on K3Ru by Materials Project

K3Ru is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K and four equivalent Ru atoms to form a mixture of distorted edge, corner, and face-sharing KK4Ru4 tetrahedra. All K–K bond lengths are 3.69 Å. All K–Ru bond lengths are 3.69 Å. In the second K site, K is bonded in a distorted body-centered cubic geometry to eight equivalent K and six equivalent Ru atoms. All K–Ru bond lengths are 4.26 Å. Ru is bonded in a body-centered cubic geometry to fourteen K atoms.

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Materials Data on HfZrRu2 by Materials Project

HfZrRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Hf–Ru bond lengths are 2.83 Å. Zr is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Zr–Ru bond lengths are 2.83 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Zr atoms.

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Materials Data on ErGa3Ru by Materials Project

ErRuGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to four equivalent Ru and ten Ga atoms. All Er–Ru bond lengths are 3.20 Å. There are eight shorter (2.94 Å) and two longer (3.20 Å) Er–Ga bond lengths. Ru is bonded to four equivalent Er and eight equivalent Ga atoms to form distorted RuEr4Ga8 cuboctahedra that share corners with four equivalent RuEr4Ga8 cuboctahedra, edges with four equivalent GaEr6 octahedra, and faces with eight equivalent RuEr4Ga8 cuboctahedra. All Ru–Ga bond lengths are 2.66 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Er atoms to form GaEr6 octahedra that share corners with six equivalent GaEr6 octahedra and edges with twelve equivalent RuEr4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Er, three equivalent Ru, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.71 Å.

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Materials Data on TmRu3C by Materials Project

TmRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Ru atoms to form TmRu12 cuboctahedra that share corners with twelve equivalent TmRu12 cuboctahedra, faces with six equivalent TmRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Tm–Ru bond lengths are 2.93 Å. Ru is bonded to four equivalent Tm and two equivalent C atoms to form a mixture of distorted corner, edge, and face-sharing RuTm4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Ru–C bond lengths are 2.07 Å. C is bonded to six equivalent Ru atoms to form CRu6 octahedra that share corners with six equivalent CRu6 octahedra and faces with eight equivalent TmRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on BePRu2 by Materials Project

BeRu2P crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BeRu2P ribbons oriented in the (1, 0, 0) direction. Be is bonded in a linear geometry to two equivalent Ru atoms. Both Be–Ru bond lengths are 2.35 Å. Ru is bonded in a linear geometry to one Be and one P atom. The Ru–P bond length is 2.08 Å. P is bonded in a linear geometry to two equivalent Ru atoms.

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Materials Data on Pr3Ru by Materials Project

Pr3Ru is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Pr3Ru sheets oriented in the (0, 0, 1) direction. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 2-coordinate geometry to two equivalent Ru atoms. There are one shorter (2.92 Å) and one longer (2.98 Å) Pr–Ru bond lengths. In the second Pr site, Pr is bonded in a bent 150 degrees geometry to two equivalent Ru atoms. There are one shorter (2.87 Å) and one longer (2.90 Å) Pr–Ru bond lengths. Ru is bonded in a 6-coordinate geometry to six Pr atoms.

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Materials Data on PaSnRu2 by Materials Project

PaRu2Sn 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 Ru atoms. All Pa–Ru bond lengths are 2.91 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Pa and four equivalent Sn atoms. All Ru–Sn bond lengths are 2.91 Å. Sn is bonded in a distorted body-centered cubic geometry to eight equivalent Ru atoms.

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Materials Data on TiTeRu by Materials Project

TiRuTe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti is bonded to four equivalent Ru and six equivalent Te atoms to form a mixture of distorted corner and face-sharing TiTe6Ru4 tetrahedra. All Ti–Ru bond lengths are 2.66 Å. All Ti–Te bond lengths are 3.07 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Te atoms. All Ru–Te bond lengths are 2.66 Å. Te is bonded in a 10-coordinate geometry to six equivalent Ti and four equivalent Ru atoms.

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Materials Data on LiVRu2 by Materials Project

LiVRu2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiVRu2 ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Ru atoms. Both Li–Ru bond lengths are 2.70 Å. V is bonded in a linear geometry to two equivalent Ru atoms. Both V–Ru bond lengths are 2.05 Å. Ru is bonded in a linear geometry to one Li and one V atom.

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Materials Data on LiNpRu2 by Materials Project

LiNpRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Li–Ru bond lengths are 2.74 Å. Np is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Np–Ru bond lengths are 2.74 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Np atoms.

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Materials Data on ErScRu2 by Materials Project

ErScRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Er–Ru bond lengths are 2.85 Å. Sc is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Sc–Ru bond lengths are 2.85 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Sc atoms.

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Materials Data on LuRu3C by Materials Project

LuRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Ru atoms to form LuRu12 cuboctahedra that share corners with twelve equivalent LuRu12 cuboctahedra, faces with six equivalent LuRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Lu–Ru bond lengths are 2.92 Å. Ru is bonded to four equivalent Lu and two equivalent C atoms to form a mixture of distorted edge, face, and corner-sharing RuLu4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Ru–C bond lengths are 2.07 Å. C is bonded to six equivalent Ru atoms to form CRu6 octahedra that share corners with six equivalent CRu6 octahedra and faces with eight equivalent LuRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on CeSiRu2C by Materials Project

CeRu2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce3+ is bonded in a 4-coordinate geometry to three equivalent Si4- and four equivalent C4- atoms. All Ce–Si bond lengths are 3.14 Å. All Ce–C bond lengths are 2.71 Å. Ru+2.50+ is bonded to three equivalent Si4- and one C4- atom to form a mixture of edge and corner-sharing RuSi3C tetrahedra. There are two shorter (2.49 Å) and one longer (2.50 Å) Ru–Si bond lengths. The Ru–C bond length is 1.88 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Ce3+ and six equivalent Ru+2.50+ atoms. C4- is bonded to four equivalent Ce3+ and two equivalent Ru+2.50+ atoms to form a mixture of edge and corner-sharing CCe4Ru2 octahedra. The corner-sharing octahedral tilt angles are 25°.

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Materials Data on VInRu2 by Materials Project

VRu2In crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two VRu2In ribbons oriented in the (1, 0, 0) direction. V is bonded in a linear geometry to two equivalent Ru atoms. Both V–Ru bond lengths are 2.02 Å. Ru is bonded in a linear geometry to one V and one In atom. The Ru–In bond length is 2.74 Å. In is bonded in a linear geometry to two equivalent Ru atoms.

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Materials Data on LiPRu2 by Materials Project

LiRu2P crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiRu2P ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Ru atoms. Both Li–Ru bond lengths are 2.85 Å. Ru is bonded in a linear geometry to one Li and one P atom. The Ru–P bond length is 2.04 Å. P is bonded in a linear geometry to two equivalent Ru atoms.

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Materials Data on GdThRu2 by Materials Project

ThGdRu2 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 Ru atoms. All Th–Ru bond lengths are 3.02 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Gd–Ru bond lengths are 3.02 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Gd atoms.

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