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At least 991 records · Page 55
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DOE OSTI2020

Materials Data on Zr4Ru2N by Materials Project

Zr4Ru2N crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Ru atoms. All Zr–Ru bond lengths are 2.72 Å. In the second Zr site, Zr is bonded in a distorted bent 150 degrees geometry to two equivalent Ru and two equivalent N atoms. Both Zr–Ru bond lengths are 2.88 Å. Both Zr–N bond lengths are 2.32 Å. Ru is bonded in a 12-coordinate geometry to six Zr atoms. N is bonded to six equivalent Zr atoms to form corner-sharing NZr6 octahedra. The corner-sharing octahedral tilt angles are 37°.

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Materials Data on Sm3Ru by Materials Project

Sm3Ru is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 2-coordinate geometry to three equivalent Ru atoms. There are a spread of Sm–Ru bond distances ranging from 2.88–3.35 Å. In the second Sm site, Sm is bonded in a distorted bent 150 degrees geometry to two equivalent Ru atoms. There are one shorter (2.81 Å) and one longer (2.87 Å) Sm–Ru bond lengths. Ru is bonded in a 6-coordinate geometry to eight Sm atoms.

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Materials Data on TaSiRu2 by Materials Project

TaRu2Si 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 Ru atoms. All Ta–Ru bond lengths are 2.66 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Ta and four equivalent Si atoms. All Ru–Si bond lengths are 2.66 Å. Si is bonded in a distorted body-centered cubic geometry to eight equivalent Ru atoms.

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Materials Data on BaRuO5 by Materials Project

BaRuO5 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to twelve O atoms to form BaO12 cuboctahedra that share edges with six equivalent RuO5 trigonal bipyramids. There are six shorter (2.79 Å) and six longer (3.01 Å) Ba–O bond lengths. In the second Ba site, Ba is bonded in a distorted q6 geometry to nine O atoms. There are a spread of Ba–O bond distances ranging from 2.73–2.91 Å. Ru is bonded to five O atoms to form RuO5 trigonal bipyramids that share edges with two equivalent BaO12 cuboctahedra. There is three shorter (1.79 Å) and two longer (1.84 Å) Ru–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Ba and one Ru atom. In the second O site, O is bonded in a distorted single-bond geometry to two Ba and one Ru atom. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to two Ba and one Ru atom.

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DOE OSTI2020

Materials Data on PmSmRu2 by Materials Project

SmPmRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Sm–Ru bond lengths are 3.01 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Pm–Ru bond lengths are 3.01 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent Pm atoms.

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DOE OSTI2020

Materials Data on PrSiRu2C by Materials Project

PrRu2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr3+ is bonded in a 4-coordinate geometry to three equivalent Si4- and four equivalent C4- atoms. There are one shorter (3.11 Å) and two longer (3.17 Å) Pr–Si bond lengths. All Pr–C bond lengths are 2.74 Å. Ru+2.50+ is bonded to three equivalent Si4- and one C4- atom to form a mixture of distorted corner and edge-sharing RuSi3C tetrahedra. There are two shorter (2.52 Å) and one longer (2.54 Å) Ru–Si bond lengths. The Ru–C bond length is 1.89 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Pr3+ and six equivalent Ru+2.50+ atoms. C4- is bonded to four equivalent Pr3+ and two equivalent Ru+2.50+ atoms to form a mixture of corner and edge-sharing CPr4Ru2 octahedra. The corner-sharing octahedral tilt angles are 23°.

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Materials Data on YHfRu2 by Materials Project

YHfRu2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two YHfRu2 ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to two equivalent Ru atoms. Both Y–Ru bond lengths are 2.40 Å. Hf is bonded in a linear geometry to two equivalent Ru atoms. Both Hf–Ru bond lengths are 2.25 Å. Ru is bonded in a linear geometry to one Y and one Hf atom.

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DOE OSTI2020

Materials Data on MgRu2W by Materials Project

MgWRu2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgWRu2 ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to two equivalent Ru atoms. Both Mg–Ru bond lengths are 2.74 Å. W is bonded in a linear geometry to two equivalent Ru atoms. Both W–Ru bond lengths are 2.14 Å. Ru is bonded in a linear geometry to one Mg and one W atom.

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Materials Data on GaFeRu2 by Materials Project

Ru2FeGa crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ru2FeGa ribbons oriented in the (1, 0, 0) direction. Ru is bonded in a linear geometry to one Fe and one Ga atom. The Ru–Fe bond length is 2.24 Å. The Ru–Ga bond length is 2.38 Å. Fe is bonded in a linear geometry to two equivalent Ru atoms. Ga is bonded in a linear geometry to two equivalent Ru atoms.

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DOE OSTI2020

Materials Data on Sc2FeB2RuRh4 by Materials Project

Sc2RuFeRh4B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to two equivalent Ru, eight equivalent Rh, and three equivalent B atoms. Both Sc–Ru bond lengths are 2.76 Å. There are four shorter (2.85 Å) and four longer (2.95 Å) Sc–Rh bond lengths. There are one shorter (2.69 Å) and two longer (2.82 Å) Sc–B bond lengths. Ru is bonded in a 8-coordinate geometry to four equivalent Sc and four equivalent B atoms. All Ru–B bond lengths are 2.22 Å. Fe is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Fe–Rh bond lengths are 2.61 Å. Rh is bonded in a 8-coordinate geometry to four equivalent Sc, two equivalent Fe, and two equivalent B atoms. Both Rh–B bond lengths are 2.20 Å. B is bonded in a 9-coordinate geometry to three equivalent Sc, two equivalent Ru, and four equivalent Rh atoms.

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Materials Data on Th3Sn13Ru4 by Materials Project

Th3Ru4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to four equivalent Ru and twelve equivalent Sn atoms. All Th–Ru bond lengths are 3.58 Å. There are four shorter (3.54 Å) and eight longer (3.57 Å) Th–Sn bond lengths. Ru is bonded in a 6-coordinate geometry to three equivalent Th and six equivalent Sn atoms. All Ru–Sn bond lengths are 2.77 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Th, two equivalent Ru, and one Sn atom. The Sn–Sn bond length is 3.46 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

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Materials Data on Sc6Te2Ru by Materials Project

Sc6RuTe2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 4-coordinate geometry to two equivalent Ru and two equivalent Te atoms. Both Sc–Ru bond lengths are 2.68 Å. Both Sc–Te bond lengths are 3.02 Å. In the second Sc site, Sc is bonded in a 5-coordinate geometry to one Ru and four equivalent Te atoms. The Sc–Ru bond length is 2.98 Å. All Sc–Te bond lengths are 3.09 Å. Ru is bonded in a 9-coordinate geometry to nine Sc atoms. Te is bonded in a 9-coordinate geometry to nine Sc atoms.

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DOE OSTI2020

Materials Data on BeAsRu2 by Materials Project

BeRu2As crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BeRu2As 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 2.33 Å. Ru is bonded in a linear geometry to one Be and one As atom. The Ru–As bond length is 2.26 Å. As is bonded in a linear geometry to two equivalent Ru atoms.

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Materials Data on GdZrRu2 by Materials Project

GdZrRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Gd–Ru bond lengths are 2.90 Å. Zr is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Zr–Ru bond lengths are 2.90 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Gd and four equivalent Zr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3Sn13Ru4 by Materials Project

Sm3Ru4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to four equivalent Ru and twelve equivalent Sn atoms. All Sm–Ru bond lengths are 3.47 Å. There are four shorter (3.43 Å) and eight longer (3.47 Å) Sm–Sn bond lengths. Ru is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Sn atoms. All Ru–Sn bond lengths are 2.68 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Sm, two equivalent Ru, and one Sn atom. The Sn–Sn bond length is 3.36 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaGe2RuRh by Materials Project

LaRuRhGe2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to four equivalent Ru, four equivalent Rh, and eight equivalent Ge atoms. All La–Ru bond lengths are 3.37 Å. All La–Rh bond lengths are 3.37 Å. All La–Ge bond lengths are 3.32 Å. Ru is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Ge atoms. All Ru–Ge bond lengths are 2.47 Å. Rh is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Ge atoms. All Rh–Ge bond lengths are 2.47 Å. Ge is bonded in a 9-coordinate geometry to four equivalent La, two equivalent Ru, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.72 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlGaRu2 by Materials Project

Ru2GaAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ru is bonded in a body-centered cubic geometry to four equivalent Ga and four equivalent Al atoms. All Ru–Ga bond lengths are 2.61 Å. All Ru–Al bond lengths are 2.61 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. Al is bonded in a body-centered cubic geometry to eight equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th(BRu)2 by Materials Project

Th(RuB)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Th is bonded in a 10-coordinate geometry to four equivalent Ru and six equivalent B atoms. All Th–Ru bond lengths are 3.02 Å. There are two shorter (2.88 Å) and four longer (3.08 Å) Th–B bond lengths. Ru is bonded in a 4-coordinate geometry to two equivalent Th and four equivalent B atoms. There are two shorter (2.09 Å) and two longer (2.16 Å) Ru–B bond lengths. B is bonded in a 7-coordinate geometry to three equivalent Th and four equivalent Ru atoms.

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