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DOE OSTI2020

Materials Data on DyB2Ru3 by Materials Project

DyRu3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to two equivalent Dy, twelve equivalent Ru, and six equivalent B atoms. Both Dy–Dy bond lengths are 3.04 Å. All Dy–Ru bond lengths are 3.15 Å. All Dy–B bond lengths are 3.18 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Dy and four equivalent B atoms. All Ru–B bond lengths are 2.20 Å. B is bonded in a 6-coordinate geometry to three equivalent Dy and six equivalent Ru atoms.

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DOE OSTI2020

Materials Data on ErB2Ru3 by Materials Project

ErRu3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to two equivalent Er, twelve equivalent Ru, and six equivalent B atoms. Both Er–Er bond lengths are 3.03 Å. All Er–Ru bond lengths are 3.14 Å. All Er–B bond lengths are 3.17 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Er and four equivalent B atoms. All Ru–B bond lengths are 2.19 Å. B is bonded in a 6-coordinate geometry to three equivalent Er and six equivalent Ru atoms.

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DOE OSTI2020

Materials Data on TaSbRu by Materials Project

TaRuSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ta is bonded to four equivalent Ru and six equivalent Sb atoms to form a mixture of distorted face and corner-sharing TaSb6Ru4 tetrahedra. All Ta–Ru bond lengths are 2.68 Å. All Ta–Sb bond lengths are 3.10 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Ta and four equivalent Sb atoms. All Ru–Sb bond lengths are 2.68 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Ta and four equivalent Ru atoms.

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DOE OSTI2020

Materials Data on VSbRu by Materials Project

VRuSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. V is bonded to four equivalent Ru and six equivalent Sb atoms to form a mixture of distorted corner and face-sharing VSb6Ru4 tetrahedra. All V–Ru bond lengths are 2.62 Å. All V–Sb bond lengths are 3.02 Å. Ru is bonded in a body-centered cubic geometry to four equivalent V and four equivalent Sb atoms. All Ru–Sb bond lengths are 2.62 Å. Sb is bonded in a 10-coordinate geometry to six equivalent V and four equivalent Ru atoms.

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DOE OSTI2020

Materials Data on HfSbRu by Materials Project

HfRuSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded to four equivalent Ru and six equivalent Sb atoms to form a mixture of distorted face and corner-sharing HfSb6Ru4 tetrahedra. All Hf–Ru bond lengths are 2.74 Å. All Hf–Sb bond lengths are 3.16 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Sb atoms. All Ru–Sb bond lengths are 2.74 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Hf and four equivalent Ru atoms.

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DOE OSTI2020

Materials Data on ZrSbRu by Materials Project

SbRuZr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded to four equivalent Ru and six equivalent Sb atoms to form a mixture of distorted face and corner-sharing ZrSb6Ru4 tetrahedra. All Zr–Ru bond lengths are 2.75 Å. All Zr–Sb bond lengths are 3.18 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Sb atoms. All Ru–Sb bond lengths are 2.75 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Zr and four equivalent Ru atoms.

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DOE OSTI2020

Materials Data on TiSbRu by Materials Project

TiRuSb 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 Sb atoms to form a mixture of distorted corner and face-sharing TiSb6Ru4 tetrahedra. All Ti–Ru bond lengths are 2.67 Å. All Ti–Sb bond lengths are 3.08 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Sb atoms. All Ru–Sb bond lengths are 2.67 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Ti and four equivalent Ru atoms.

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DOE OSTI2020

Materials Data on TbB2Ru3 by Materials Project

TbRu3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to two equivalent Tb, twelve equivalent Ru, and six equivalent B atoms. Both Tb–Tb bond lengths are 3.04 Å. All Tb–Ru bond lengths are 3.15 Å. All Tb–B bond lengths are 3.18 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Tb and four equivalent B atoms. All Ru–B bond lengths are 2.20 Å. B is bonded in a 6-coordinate geometry to three equivalent Tb and six equivalent Ru atoms.

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DOE OSTI2020

Materials Data on ThB2Ru3 by Materials Project

ThRu3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to two equivalent Th, twelve equivalent Ru, and six equivalent B atoms. Both Th–Th bond lengths are 3.08 Å. All Th–Ru bond lengths are 3.18 Å. All Th–B bond lengths are 3.21 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Th and four equivalent B atoms. All Ru–B bond lengths are 2.22 Å. B is bonded in a 6-coordinate geometry to three equivalent Th and six equivalent Ru atoms.

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DOE OSTI2020

Materials Data on YbB2Ru3 by Materials Project

YbRu3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to two equivalent Yb, twelve equivalent Ru, and six equivalent B atoms. Both Yb–Yb bond lengths are 2.95 Å. All Yb–Ru bond lengths are 3.15 Å. All Yb–B bond lengths are 3.21 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Yb and four equivalent B atoms. All Ru–B bond lengths are 2.18 Å. B is bonded in a 6-coordinate geometry to three equivalent Yb and six equivalent Ru atoms.

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DOE OSTI2020

Materials Data on FeSiRu2 by Materials Project

Ru2FeSi 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 Fe and four equivalent Si atoms. All Ru–Fe bond lengths are 2.56 Å. All Ru–Si bond lengths are 2.56 Å. Fe is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. Si is bonded in a body-centered cubic geometry to eight equivalent Ru atoms.

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DOE OSTI2020

Materials Data on SmB2Ru3 by Materials Project

SmRu3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to two equivalent Sm, twelve equivalent Ru, and six equivalent B atoms. Both Sm–Sm bond lengths are 3.04 Å. All Sm–Ru bond lengths are 3.16 Å. All Sm–B bond lengths are 3.20 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Sm and four equivalent B atoms. All Ru–B bond lengths are 2.21 Å. B is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Ru atoms.

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DOE OSTI2020

Materials Data on YB2Ru3 by Materials Project

YRu3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to two equivalent Y, twelve equivalent Ru, and six equivalent B atoms. Both Y–Y bond lengths are 3.04 Å. All Y–Ru bond lengths are 3.15 Å. All Y–B bond lengths are 3.18 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Y and four equivalent B atoms. All Ru–B bond lengths are 2.20 Å. B is bonded in a 6-coordinate geometry to three equivalent Y and six equivalent Ru atoms.

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DOE OSTI2020

Materials Data on NbSbRu by Materials Project

NbRuSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nb is bonded to four equivalent Ru and six equivalent Sb atoms to form a mixture of distorted face and corner-sharing NbSb6Ru4 tetrahedra. All Nb–Ru bond lengths are 2.69 Å. All Nb–Sb bond lengths are 3.10 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Nb and four equivalent Sb atoms. All Ru–Sb bond lengths are 2.69 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Nb and four equivalent Ru atoms.

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DOE OSTI2020

Materials Data on Ho(GeRu)2 by Materials Project

Ho(RuGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to eight equivalent Ru and eight equivalent Ge atoms. All Ho–Ru bond lengths are 3.26 Å. All Ho–Ge bond lengths are 3.28 Å. Ru is bonded in a 4-coordinate geometry to four equivalent Ho and four equivalent Ge atoms. All Ru–Ge bond lengths are 2.44 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ho, four equivalent Ru, and one Ge atom. The Ge–Ge bond length is 2.56 Å.

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DOE OSTI2020

Materials Data on RuF5 by Materials Project

RuF5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two RuF5 clusters. Ru5+ is bonded to six F1- atoms to form corner-sharing RuF6 octahedra. The corner-sharing octahedra tilt angles range from 40–45°. There are a spread of Ru–F bond distances ranging from 1.84–2.05 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ru5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ru5+ atom. The F–Ru bond length is 1.87 Å. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Ru5+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Ru5+ atom. The F–Ru bond length is 1.87 Å. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Ru5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Ru5+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Ru5+ atom. The F–Ru bond length is 1.84 Å. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Ru5+ atom. The F–Ru bond length is 1.84 Å. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Ru5+ atom. In the tenth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Ru5+ atoms.

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DOE OSTI2020

Materials Data on YHoRu2 by Materials Project

HoYRu2 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 2.95 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Y–Ru bond lengths are 2.95 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Y atoms.

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DOE OSTI2020

Materials Data on TmScRu2 by Materials Project

TmScRu2 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 2.85 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 Tm and four equivalent Sc atoms.

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