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At least 1,153 records · Page 64
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DOE OSTI2020

Materials Data on CeRu3C by Materials Project

CeRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to twelve equivalent Ru atoms to form CeRu12 cuboctahedra that share corners with twelve equivalent CeRu12 cuboctahedra, faces with six equivalent CeRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Ce–Ru bond lengths are 2.96 Å. Ru is bonded to four equivalent Ce and two equivalent C atoms to form a mixture of distorted corner, edge, and face-sharing RuCe4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Ru–C bond lengths are 2.09 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 CeRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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DOE OSTI2020

Materials Data on MnGaRu by Materials Project

RuMnGa is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn is bonded in a 10-coordinate geometry to six equivalent Ru and four equivalent Ga atoms. All Mn–Ru bond lengths are 2.91 Å. All Mn–Ga bond lengths are 2.52 Å. Ru is bonded in a 4-coordinate geometry to six equivalent Mn and four equivalent Ga atoms. All Ru–Ga bond lengths are 2.52 Å. Ga is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Ru atoms.

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DOE OSTI2020

Materials Data on Al12Ru by Materials Project

RuAl12 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Ru is bonded in a 9-coordinate geometry to nine Al atoms. There are six shorter (2.61 Å) and three longer (2.73 Å) Ru–Al bond lengths. There are seven inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–2.97 Å. In the second Al site, Al is bonded in a distorted single-bond geometry to one Ru and six Al atoms. There are one shorter (2.74 Å) and one longer (2.78 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to three equivalent Ru and three equivalent Al atoms. In the fourth Al site, Al is bonded in a distorted q6 geometry to twelve Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–2.82 Å. In the fifth Al site, Al is bonded in a distorted q6 geometry to twelve Al atoms. All Al–Al bond lengths are 2.92 Å. In the sixth Al site, Al is bonded in a 11-coordinate geometry to two equivalent Ru and two equivalent Al atoms. In the seventh Al site, Al is bonded in a 11-coordinate geometry to eleven Al atoms. The Al–Al bond length is 2.63 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnSiRu2 by Materials Project

Ru2ZnSi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ru2ZnSi ribbons oriented in the (1, 0, 0) direction. Ru is bonded in a linear geometry to one Zn and one Si atom. The Ru–Zn bond length is 2.60 Å. The Ru–Si bond length is 2.19 Å. Zn is bonded in a linear geometry to two equivalent Ru atoms. Si is bonded in a linear geometry to two equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgURu2 by Materials Project

MgURu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Mg–Ru bond lengths are 2.83 Å. U is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All U–Ru bond lengths are 2.83 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent U atoms.

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DOE OSTI2020

Materials Data on ScSiRu2 by Materials Project

ScRu2Si crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ScRu2Si 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 2.28 Å. Ru is bonded in a linear geometry to one Sc and one Si atom. The Ru–Si bond length is 2.21 Å. Si is bonded in a linear geometry to two equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3Ge13Ru4 by Materials Project

Nd3Ru4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to four equivalent Ru and twelve equivalent Ge atoms. All Nd–Ru bond lengths are 3.24 Å. There are eight shorter (3.25 Å) and four longer (3.27 Å) Nd–Ge bond lengths. Ru is bonded in a 6-coordinate geometry to three equivalent Nd and six equivalent Ge atoms. All Ru–Ge bond lengths are 2.51 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Nd, two equivalent Ru, and one Ge atom. The Ge–Ge bond length is 3.01 Å. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CrGaRu2 by Materials Project

CrRu2Ga crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two CrRu2Ga ribbons oriented in the (1, 0, 0) direction. Cr is bonded in a linear geometry to two equivalent Ru atoms. Both Cr–Ru bond lengths are 2.00 Å. Ru is bonded in a linear geometry to one Cr and one Ga atom. The Ru–Ga bond length is 2.57 Å. Ga is bonded in a linear geometry to two equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErSiRu2C by Materials Project

ErRu2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er3+ is bonded in a 4-coordinate geometry to three equivalent Si4- and four equivalent C4- atoms. There are one shorter (3.10 Å) and two longer (3.11 Å) Er–Si bond lengths. All Er–C bond lengths are 2.65 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 (2.46 Å) and one longer (2.48 Å) Ru–Si bond lengths. The Ru–C bond length is 1.87 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Er3+ and six equivalent Ru+2.50+ atoms. C4- is bonded to four equivalent Er3+ and two equivalent Ru+2.50+ atoms to form a mixture of corner and edge-sharing CEr4Ru2 octahedra. The corner-sharing octahedral tilt angles are 22°.

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DOE OSTI2020

Materials Data on Lu3Ge13Ru4 by Materials Project

Lu3Ru4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Lu is bonded in a 8-coordinate geometry to four equivalent Ru and twelve equivalent Ge atoms. All Lu–Ru bond lengths are 3.17 Å. There are eight shorter (3.13 Å) and four longer (3.20 Å) Lu–Ge bond lengths. Ru is bonded in a 6-coordinate geometry to three equivalent Lu and six equivalent Ge atoms. All Ru–Ge bond lengths are 2.48 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Lu, two equivalent Ru, and two Ge atoms. There are one shorter (2.67 Å) and one longer (3.08 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

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DOE OSTI2020

Materials Data on HfGeRu2 by Materials Project

HfRu2Ge 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 and six equivalent Ge atoms. All Hf–Ru bond lengths are 2.71 Å. All Hf–Ge bond lengths are 3.13 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Ge atoms. All Ru–Ge bond lengths are 2.71 Å. Ge is bonded in a distorted body-centered cubic geometry to six equivalent Hf and eight equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdSn3Ru by Materials Project

NdRuSn3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to four equivalent Ru and twelve equivalent Sn atoms. All Nd–Ru bond lengths are 3.47 Å. There are four shorter (3.42 Å) and eight longer (3.44 Å) Nd–Sn bond lengths. In the second Nd site, Nd is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms. All Nd–Sn bond lengths are 3.43 Å. Ru is bonded in a 6-coordinate geometry to three equivalent Nd and six equivalent Sn atoms. All Ru–Sn bond lengths are 2.69 Å. Sn is bonded in a 2-coordinate geometry to four Nd, two equivalent Ru, and three equivalent Sn atoms. There are one shorter (3.09 Å) and two longer (3.19 Å) Sn–Sn bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoZrRu2 by Materials Project

HoZrRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ho–Ru bond lengths are 2.88 Å. Zr is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Zr–Ru bond lengths are 2.88 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Zr atoms.

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DOE OSTI2020

Materials Data on DyLuRu2 by Materials Project

LuDyRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Lu–Ru bond lengths are 2.92 Å. Dy is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Dy–Ru bond lengths are 2.92 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Dy atoms.

36 MATERIALS SCIENCE↗
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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

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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