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DOE OSTI2020

Materials Data on NbSiRu2 by Materials Project

NbRu2Si is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Nb–Ru bond lengths are 2.66 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Nb 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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DOE OSTI2020

Materials Data on CeGe3Ru by Materials Project

CeRuGe3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 8-coordinate geometry to four equivalent Ru and twelve equivalent Ge atoms. All Ce–Ru bond lengths are 3.21 Å. There are eight shorter (3.09 Å) and four longer (3.22 Å) Ce–Ge bond lengths. In the second Ce site, Ce is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms. All Ce–Ge bond lengths are 3.26 Å. Ru is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Ge atoms. All Ru–Ge bond lengths are 2.53 Å. Ge is bonded in a 2-coordinate geometry to four Ce, two equivalent Ru, and three equivalent Ge atoms. There are one shorter (2.77 Å) and two longer (2.85 Å) Ge–Ge bond lengths.

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DOE OSTI2020

Materials Data on Pu3Ru by Materials Project

Pu3Ru crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded to eight Pu and four equivalent Ru atoms to form distorted PuPu8Ru4 cuboctahedra that share corners with twelve equivalent PuPu8Ru4 cuboctahedra, edges with eight equivalent PuPu8Ru4 cuboctahedra, edges with eight equivalent RuPu12 cuboctahedra, faces with four equivalent RuPu12 cuboctahedra, and faces with ten equivalent PuPu8Ru4 cuboctahedra. There are four shorter (2.85 Å) and four longer (3.25 Å) Pu–Pu bond lengths. All Pu–Ru bond lengths are 3.25 Å. In the second Pu site, Pu is bonded in a square co-planar geometry to eight equivalent Pu and four equivalent Ru atoms. All Pu–Ru bond lengths are 2.85 Å. Ru is bonded to twelve Pu atoms to form distorted RuPu12 cuboctahedra that share corners with four equivalent RuPu12 cuboctahedra, edges with eight equivalent RuPu12 cuboctahedra, edges with sixteen equivalent PuPu8Ru4 cuboctahedra, faces with four equivalent RuPu12 cuboctahedra, and faces with eight equivalent PuPu8Ru4 cuboctahedra.

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Materials Data on TaNbRu2 by Materials Project

TaNbRu2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TaNbRu2 ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to two equivalent Ru atoms. Both Ta–Ru bond lengths are 2.22 Å. Nb is bonded in a linear geometry to two equivalent Ru atoms. Both Nb–Ru bond lengths are 2.24 Å. Ru is bonded in a linear geometry to one Ta and one Nb atom.

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DOE OSTI2020

Materials Data on Sm2Fe3Ru by Materials Project

Sm2RuFe3 is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to three equivalent Ru and nine equivalent Fe atoms. All Sm–Ru bond lengths are 3.07 Å. There are six shorter (3.09 Å) and three longer (3.13 Å) Sm–Fe bond lengths. Ru is bonded to six equivalent Sm and six equivalent Fe atoms to form RuSm6Fe6 cuboctahedra that share corners with six equivalent RuSm6Fe6 cuboctahedra, corners with twelve equivalent FeSm6Fe4Ru2 cuboctahedra, edges with six equivalent RuSm6Fe6 cuboctahedra, and faces with eighteen equivalent FeSm6Fe4Ru2 cuboctahedra. All Ru–Fe bond lengths are 2.67 Å. Fe is bonded to six equivalent Sm, two equivalent Ru, and four equivalent Fe atoms to form FeSm6Fe4Ru2 cuboctahedra that share corners with four equivalent RuSm6Fe6 cuboctahedra, corners with fourteen equivalent FeSm6Fe4Ru2 cuboctahedra, edges with six equivalent FeSm6Fe4Ru2 cuboctahedra, faces with six equivalent RuSm6Fe6 cuboctahedra, and faces with twelve equivalent FeSm6Fe4Ru2 cuboctahedra. All Fe–Fe bond lengths are 2.62 Å.

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DOE OSTI2020

Materials Data on Tb3Ru by Materials Project

Tb3Ru is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 2-coordinate geometry to three equivalent Ru atoms. There are a spread of Tb–Ru bond distances ranging from 2.86–3.26 Å. In the second Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two equivalent Ru atoms. There are one shorter (2.77 Å) and one longer (2.80 Å) Tb–Ru bond lengths. Ru is bonded in a 6-coordinate geometry to eight Tb atoms.

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Materials Data on AlFeRu2 by Materials Project

Ru2FeAl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ru2FeAl ribbons oriented in the (1, 0, 0) direction. Ru is bonded in a linear geometry to one Fe and one Al atom. The Ru–Fe bond length is 2.28 Å. The Ru–Al bond length is 2.38 Å. Fe is bonded in a linear geometry to two equivalent Ru atoms. Al is bonded in a linear geometry to two equivalent Ru atoms.

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Materials Data on ErRu3C by Materials Project

ErRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent Ru atoms to form ErRu12 cuboctahedra that share corners with twelve equivalent ErRu12 cuboctahedra, faces with six equivalent ErRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Er–Ru bond lengths are 2.93 Å. Ru is bonded to four equivalent Er and two equivalent C atoms to form a mixture of distorted face, edge, and corner-sharing RuEr4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Ru–C bond lengths are 2.08 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 ErRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on ZrSiRu2 by Materials Project

ZrRu2Si is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Zr–Ru bond lengths are 2.70 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Si atoms. All Ru–Si bond lengths are 2.70 Å. Si is bonded in a distorted body-centered cubic geometry to eight equivalent Ru atoms.

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Materials Data on CeB2Ru2Rh by Materials Project

CeRu2RhB2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to two equivalent Ce, eight equivalent Ru, four equivalent Rh, and six equivalent B atoms. Both Ce–Ce bond lengths are 3.00 Å. All Ce–Ru bond lengths are 3.14 Å. All Ce–Rh bond lengths are 3.19 Å. There are two shorter (3.12 Å) and four longer (3.25 Å) Ce–B bond lengths. Ru is bonded in a distorted square co-planar geometry to four equivalent Ce and four equivalent B atoms. All Ru–B bond lengths are 2.19 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Ce and four equivalent B atoms. All Rh–B bond lengths are 2.22 Å. B is bonded in a 6-coordinate geometry to three equivalent Ce, four equivalent Ru, and two equivalent Rh atoms.

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Materials Data on HfInRu2 by Materials Project

HfRu2In crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two HfRu2In ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to two equivalent Ru atoms. Both Hf–Ru bond lengths are 2.24 Å. Ru is bonded in a linear geometry to one Hf and one In atom. The Ru–In bond length is 2.67 Å. In is bonded in a linear geometry to two equivalent Ru atoms.

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Materials Data on ZrScRu2 by Materials Project

ScZrRu2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ScZrRu2 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. Zr is bonded in a linear geometry to two equivalent Ru atoms. Both Zr–Ru bond lengths are 2.24 Å. Ru is bonded in a linear geometry to one Sc and one Zr atom.

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Materials Data on YTmRu2 by Materials Project

TmYRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Tm–Ru bond lengths are 2.93 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Y–Ru bond lengths are 2.93 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Y atoms.

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Materials Data on HfNbRu2 by Materials Project

HfNbRu2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two HfNbRu2 ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to two equivalent Ru atoms. Both Hf–Ru bond lengths are 2.32 Å. Nb is bonded in a linear geometry to two equivalent Ru atoms. Both Nb–Ru bond lengths are 2.21 Å. Ru is bonded in a linear geometry to one Hf and one Nb atom.

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Materials Data on Sm3Ge13Ru4 by Materials Project

Sm3Ru4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to four equivalent Ru and twelve equivalent Ge atoms. All Sm–Ru bond lengths are 3.22 Å. There are eight shorter (3.22 Å) and four longer (3.25 Å) Sm–Ge bond lengths. Ru is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Ge atoms. All Ru–Ge bond lengths are 2.50 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Sm, two equivalent Ru, and one Ge atom. The Ge–Ge bond length is 3.00 Å. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

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Materials Data on DyThRu2 by Materials Project

ThDyRu2 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 3.01 Å. Dy is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Dy–Ru bond lengths are 3.01 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Dy atoms.

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Materials Data on MgVRu2 by Materials Project

MgVRu2 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 2.64 Å. V is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All V–Ru bond lengths are 2.64 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent V atoms.

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Materials Data on LiNbRu2 by Materials Project

LiNbRu2 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 2.66 Å. Nb is bonded in a distorted body-centered cubic geometry to eight equivalent Ru atoms. All Nb–Ru bond lengths are 2.66 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Nb atoms.

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