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DOE OSTI2020

Materials Data on BRu3 by Materials Project

Ru3B is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ru is bonded to eight equivalent Ru and four equivalent B atoms to form distorted RuB4Ru8 cuboctahedra that share corners with four equivalent BRu12 cuboctahedra, corners with fourteen equivalent RuB4Ru8 cuboctahedra, edges with six equivalent BRu12 cuboctahedra, edges with twelve equivalent RuB4Ru8 cuboctahedra, faces with four equivalent BRu12 cuboctahedra, and faces with sixteen equivalent RuB4Ru8 cuboctahedra. There are a spread of Ru–Ru bond distances ranging from 2.53–2.79 Å. There are two shorter (2.50 Å) and two longer (2.66 Å) Ru–B bond lengths. B is bonded to twelve equivalent Ru atoms to form BRu12 cuboctahedra that share corners with six equivalent BRu12 cuboctahedra, corners with twelve equivalent RuB4Ru8 cuboctahedra, edges with eighteen equivalent RuB4Ru8 cuboctahedra, faces with eight equivalent BRu12 cuboctahedra, and faces with twelve equivalent RuB4Ru8 cuboctahedra.

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Materials Data on Nb7(B4Ru3)2 by Materials Project

Nb7(Ru3B4)2 crystallizes in the hexagonal P6/m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded to twelve equivalent B atoms to form face-sharing NbB12 cuboctahedra. All Nb–B bond lengths are 2.44 Å. In the second Nb site, Nb is bonded in a 11-coordinate geometry to six equivalent Ru and five B atoms. There are four shorter (2.78 Å) and two longer (2.88 Å) Nb–Ru bond lengths. There are four shorter (2.38 Å) and one longer (2.71 Å) Nb–B bond lengths. Ru is bonded in a 2-coordinate geometry to six equivalent Nb and three B atoms. There are two shorter (2.24 Å) and one longer (2.54 Å) Ru–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to three equivalent Nb and six equivalent Ru atoms. In the second B site, B is bonded in a 9-coordinate geometry to six Nb, one Ru, and two equivalent B atoms. Both B–B bond lengths are 1.87 Å.

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Materials Data on CoRu by Materials Project

RuCo crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ru is bonded to six equivalent Ru and six equivalent Co atoms to form distorted RuCo6Ru6 cuboctahedra that share corners with eighteen equivalent RuCo6Ru6 cuboctahedra, edges with six equivalent RuCo6Ru6 cuboctahedra, edges with twelve equivalent CoCo6Ru6 cuboctahedra, faces with eight equivalent RuCo6Ru6 cuboctahedra, and faces with twelve equivalent CoCo6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.65 Å. All Ru–Co bond lengths are 2.56 Å. Co is bonded to six equivalent Ru and six equivalent Co atoms to form distorted CoCo6Ru6 cuboctahedra that share corners with eighteen equivalent CoCo6Ru6 cuboctahedra, edges with six equivalent CoCo6Ru6 cuboctahedra, edges with twelve equivalent RuCo6Ru6 cuboctahedra, faces with eight equivalent CoCo6Ru6 cuboctahedra, and faces with twelve equivalent RuCo6Ru6 cuboctahedra. All Co–Co bond lengths are 2.65 Å.

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Materials Data on HfSiRu by Materials Project

HfRuSi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Ru and five Si atoms. There are two shorter (2.93 Å) and four longer (3.03 Å) Hf–Ru bond lengths. There are four shorter (2.73 Å) and one longer (2.76 Å) Hf–Si bond lengths. Ru is bonded in a 12-coordinate geometry to six equivalent Hf and four Si atoms. There are two shorter (2.47 Å) and two longer (2.56 Å) Ru–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Ru atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Ru atoms.

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Materials Data on Co4Ru by Materials Project

RuCo4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ru is bonded to six equivalent Ru and six equivalent Co atoms to form RuCo6Ru6 cuboctahedra that share corners with six equivalent RuCo6Ru6 cuboctahedra, corners with six CoCo12 cuboctahedra, edges with six equivalent RuCo6Ru6 cuboctahedra, edges with eighteen CoCo9Ru3 cuboctahedra, faces with six equivalent RuCo6Ru6 cuboctahedra, and faces with twelve equivalent CoCo9Ru3 cuboctahedra. All Ru–Ru bond lengths are 2.57 Å. All Ru–Co bond lengths are 2.61 Å. There are seven inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Ru and nine Co atoms to form CoCo9Ru3 cuboctahedra that share corners with twelve CoCo9Ru3 cuboctahedra, edges with six equivalent RuCo6Ru6 cuboctahedra, edges with eighteen CoCo9Ru3 cuboctahedra, faces with six equivalent RuCo6Ru6 cuboctahedra, and faces with twelve CoCo9Ru3 cuboctahedra. There are three shorter (2.47 Å) and six longer (2.57 Å) Co–Co bond lengths. In the second Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with three equivalent RuCo6Ru6 cuboctahedra, corners with nine CoCo9Ru3 cuboctahedra, edges with three equivalent RuCo6Ru6 cuboctahedra, edges with twenty-one CoCo9Ru3 cuboctahedra, and faces with eighteen CoCo9Ru3 cuboctahedra. There are three shorter (2.51 Å) and six longer (2.57 Å) Co–Co bond lengths. In the third Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with three equivalent RuCo6Ru6 cuboctahedra, corners with nine CoCo9Ru3 cuboctahedra, edges with three equivalent RuCo6Ru6 cuboctahedra, edges with twenty-one CoCo9Ru3 cuboctahedra, and faces with eighteen CoCo9Ru3 cuboctahedra. There are three shorter (2.47 Å) and six longer (2.57 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with three equivalent RuCo6Ru6 cuboctahedra, corners with nine CoCo9Ru3 cuboctahedra, edges with three equivalent RuCo6Ru6 cuboctahedra, edges with twenty-one CoCo9Ru3 cuboctahedra, and faces with eighteen CoCo9Ru3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.47–2.57 Å. In the fifth Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with three equivalent RuCo6Ru6 cuboctahedra, corners with nine CoCo9Ru3 cuboctahedra, edges with three equivalent RuCo6Ru6 cuboctahedra, edges with twenty-one CoCo9Ru3 cuboctahedra, and faces with eighteen CoCo9Ru3 cuboctahedra. There are three shorter (2.47 Å) and six longer (2.57 Å) Co–Co bond lengths. In the sixth Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with three equivalent RuCo6Ru6 cuboctahedra, corners with nine CoCo9Ru3 cuboctahedra, edges with three equivalent RuCo6Ru6 cuboctahedra, edges with twenty-one CoCo9Ru3 cuboctahedra, and faces with eighteen CoCo9Ru3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.47–2.57 Å. In the seventh Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with three equivalent RuCo6Ru6 cuboctahedra, corners with nine CoCo9Ru3 cuboctahedra, edges with three equivalent RuCo6Ru6 cuboctahedra, edges with twenty-one CoCo9Ru3 cuboctahedra, and faces with eighteen CoCo9Ru3 cuboctahedra. There are three shorter (2.47 Å) and six longer (2.57 Å) Co–Co bond lengths.

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Materials Data on BaMn2Ru4O11 by Materials Project

BaMn2Ru4O11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ba2+ is bonded to twelve O2- atoms to form distorted BaO12 cuboctahedra that share corners with six equivalent BaO12 cuboctahedra, edges with two MnO6 octahedra, edges with four RuO6 octahedra, edges with three equivalent MnO5 trigonal bipyramids, and faces with six RuO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.86–3.05 Å. There are three inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to five O2- atoms to form MnO5 trigonal bipyramids that share corners with two MnO6 octahedra, corners with ten RuO6 octahedra, and edges with three equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 40–60°. There are a spread of Mn–O bond distances ranging from 1.99–2.24 Å. In the second Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent RuO6 octahedra, corners with two equivalent MnO5 trigonal bipyramids, edges with two equivalent BaO12 cuboctahedra, and edges with four RuO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are a spread of Mn–O bond distances ranging from 2.07–2.19 Å. In the third Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent RuO6 octahedra, corners with two equivalent MnO5 trigonal bipyramids, edges with two equivalent BaO12 cuboctahedra, and edges with four RuO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are a spread of Mn–O bond distances ranging from 2.07–2.18 Å. There are six inequivalent Ru4+ sites. In the first Ru4+ site, Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with four equivalent RuO6 octahedra, corners with two equivalent MnO5 trigonal bipyramids, edges with two equivalent BaO12 cuboctahedra, edges with two equivalent MnO6 octahedra, and edges with two equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are a spread of Ru–O bond distances ranging from 2.01–2.06 Å. In the second Ru4+ site, Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with four equivalent RuO6 octahedra, corners with two equivalent MnO5 trigonal bipyramids, edges with two equivalent BaO12 cuboctahedra, edges with two equivalent MnO6 octahedra, and edges with two equivalent RuO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Ru–O bond distances ranging from 2.01–2.06 Å. In the third Ru4+ site, Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with four equivalent RuO6 octahedra, corners with two equivalent MnO5 trigonal bipyramids, edges with two equivalent BaO12 cuboctahedra, edges with two equivalent MnO6 octahedra, and edges with two equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are a spread of Ru–O bond distances ranging from 2.00–2.06 Å. In the fourth Ru4+ site, Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with four equivalent RuO6 octahedra, corners with two equivalent MnO5 trigonal bipyramids, edges with two equivalent BaO12 cuboctahedra, edges with two equivalent MnO6 octahedra, and edges with two equivalent RuO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Ru–O bond distances ranging from 2.01–2.06 Å. In the fifth Ru4+ site, Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four RuO6 octahedra, corners with three equivalent MnO5 trigonal bipyramids, faces with three equivalent BaO12 cuboctahedra, and a faceface with one RuO6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are a spread of Ru–O bond distances ranging from 2.00–2.05 Å. In the sixth Ru4+ site, Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four RuO6 octahedra, corners with three equivalent MnO5 trigonal bipyramids, faces with three equivalent BaO12 cuboctahedra, and a faceface with one RuO6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are a spread of Ru–O bond distances ranging from 1.99–2.05 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ba2+, one Mn2+, and two Ru4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ba2+, one Mn2+, and two Ru4+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+, one Mn2+, and two Ru4+ atoms. In the fourth O2- site, O2- is bonded in a rectangular see-saw-like geometry to two Mn2+ and two Ru4+ atoms. In the fifth O2- site, O2- is bonded in a rectangular see-saw-like geometry to two Mn2+ and two Ru4+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+ and three Ru4+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+, one Mn2+, and two Ru4+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+, one Mn2+, and two Ru4+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+, one Mn2+, and two Ru4+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+ and three Ru4+ atoms. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+, one Mn2+, and two Ru4+ atoms.

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Materials Data on MoRu by Materials Project

RuMo is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mo is bonded to six equivalent Mo and six equivalent Ru atoms to form MoMo6Ru6 cuboctahedra that share corners with eighteen equivalent MoMo6Ru6 cuboctahedra, edges with six equivalent MoMo6Ru6 cuboctahedra, edges with twelve equivalent RuMo6Ru6 cuboctahedra, faces with eight equivalent MoMo6Ru6 cuboctahedra, and faces with twelve equivalent RuMo6Ru6 cuboctahedra. All Mo–Mo bond lengths are 2.78 Å. All Mo–Ru bond lengths are 2.75 Å. Ru is bonded to six equivalent Mo and six equivalent Ru atoms to form RuMo6Ru6 cuboctahedra that share corners with eighteen equivalent RuMo6Ru6 cuboctahedra, edges with six equivalent RuMo6Ru6 cuboctahedra, edges with twelve equivalent MoMo6Ru6 cuboctahedra, faces with eight equivalent RuMo6Ru6 cuboctahedra, and faces with twelve equivalent MoMo6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.78 Å.

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Materials Data on U2Si5Ru2Rh by Materials Project

U2Ru2RhSi5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. U6+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of U–Si bond distances ranging from 2.99–3.28 Å. Ru+2.50+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Ru–Si bond distances ranging from 2.36–2.48 Å. Rh3+ is bonded in a distorted hexagonal planar geometry to six Si4- atoms. There are a spread of Rh–Si bond distances ranging from 2.42–2.62 Å. There are four inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent U6+, one Ru+2.50+, two equivalent Rh3+, and two Si4- atoms. There are one shorter (2.50 Å) and one longer (2.54 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent U6+ and four equivalent Ru+2.50+ atoms. In the third Si4- site, Si4- is bonded in a 3-coordinate geometry to four equivalent U6+, two equivalent Ru+2.50+, one Rh3+, and two equivalent Si4- atoms. In the fourth Si4- site, Si4- is bonded in a 3-coordinate geometry to four equivalent U6+, two equivalent Ru+2.50+, one Rh3+, and two equivalent Si4- atoms.

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Materials Data on RuRh4 by Materials Project

RuRh4 is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ru is bonded to six equivalent Ru and six equivalent Rh atoms to form RuRu6Rh6 cuboctahedra that share corners with six equivalent RuRu6Rh6 cuboctahedra, corners with six RhRh12 cuboctahedra, edges with six equivalent RuRu6Rh6 cuboctahedra, edges with eighteen RhRh12 cuboctahedra, faces with six equivalent RuRu6Rh6 cuboctahedra, and faces with twelve equivalent RhRu3Rh9 cuboctahedra. All Ru–Ru bond lengths are 2.72 Å. All Ru–Rh bond lengths are 2.68 Å. There are four inequivalent Rh sites. In the first Rh site, Rh is bonded to three equivalent Ru and nine Rh atoms to form RhRu3Rh9 cuboctahedra that share corners with twelve RhRu3Rh9 cuboctahedra, edges with six equivalent RuRu6Rh6 cuboctahedra, edges with eighteen RhRu3Rh9 cuboctahedra, faces with six equivalent RuRu6Rh6 cuboctahedra, and faces with twelve RhRu3Rh9 cuboctahedra. There are six shorter (2.72 Å) and three longer (2.75 Å) Rh–Rh bond lengths. In the second Rh site, Rh is bonded to twelve Rh atoms to form RhRh12 cuboctahedra that share corners with three equivalent RuRu6Rh6 cuboctahedra, corners with nine RhRu3Rh9 cuboctahedra, edges with three equivalent RuRu6Rh6 cuboctahedra, edges with twenty-one RhRu3Rh9 cuboctahedra, and faces with eighteen RhRu3Rh9 cuboctahedra. There are three shorter (2.70 Å) and six longer (2.72 Å) Rh–Rh bond lengths. In the third Rh site, Rh is bonded to twelve Rh atoms to form RhRh12 cuboctahedra that share corners with three equivalent RuRu6Rh6 cuboctahedra, corners with nine RhRu3Rh9 cuboctahedra, edges with three equivalent RuRu6Rh6 cuboctahedra, edges with twenty-one RhRu3Rh9 cuboctahedra, and faces with eighteen RhRu3Rh9 cuboctahedra. There are six shorter (2.72 Å) and three longer (2.75 Å) Rh–Rh bond lengths. In the fourth Rh site, Rh is bonded to twelve Rh atoms to form RhRh12 cuboctahedra that share corners with three equivalent RuRu6Rh6 cuboctahedra, corners with nine RhRh12 cuboctahedra, edges with three equivalent RuRu6Rh6 cuboctahedra, edges with twenty-one RhRh12 cuboctahedra, and faces with eighteen RhRh12 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.70–2.75 Å.

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Materials Data on PdRu by Materials Project

PdRu is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ru is bonded to six equivalent Ru and six equivalent Pd atoms to form RuPd6Ru6 cuboctahedra that share corners with eighteen equivalent RuPd6Ru6 cuboctahedra, edges with six equivalent RuPd6Ru6 cuboctahedra, edges with twelve equivalent PdPd6Ru6 cuboctahedra, faces with eight equivalent RuPd6Ru6 cuboctahedra, and faces with twelve equivalent PdPd6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.75 Å. All Ru–Pd bond lengths are 2.74 Å. Pd is bonded to six equivalent Ru and six equivalent Pd atoms to form PdPd6Ru6 cuboctahedra that share corners with eighteen equivalent PdPd6Ru6 cuboctahedra, edges with six equivalent PdPd6Ru6 cuboctahedra, edges with twelve equivalent RuPd6Ru6 cuboctahedra, faces with eight equivalent PdPd6Ru6 cuboctahedra, and faces with twelve equivalent RuPd6Ru6 cuboctahedra. All Pd–Pd bond lengths are 2.75 Å.

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Materials Data on HfGeRu by Materials Project

HfRuGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Ru and five Ge atoms. There are two shorter (2.95 Å) and four longer (3.09 Å) Hf–Ru bond lengths. There are four shorter (2.77 Å) and one longer (2.81 Å) Hf–Ge bond lengths. Ru is bonded in a 12-coordinate geometry to six equivalent Hf and four Ge atoms. There are two shorter (2.51 Å) and two longer (2.59 Å) Ru–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Ru atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Ru atoms.

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Materials Data on CrRu by Materials Project

CrRu crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Cr is bonded to six equivalent Cr and six equivalent Ru atoms to form distorted CrCr6Ru6 cuboctahedra that share corners with eighteen equivalent CrCr6Ru6 cuboctahedra, edges with six equivalent CrCr6Ru6 cuboctahedra, edges with twelve equivalent RuCr6Ru6 cuboctahedra, faces with eight equivalent CrCr6Ru6 cuboctahedra, and faces with twelve equivalent RuCr6Ru6 cuboctahedra. All Cr–Cr bond lengths are 2.66 Å. All Cr–Ru bond lengths are 2.61 Å. Ru is bonded to six equivalent Cr and six equivalent Ru atoms to form distorted RuCr6Ru6 cuboctahedra that share corners with eighteen equivalent RuCr6Ru6 cuboctahedra, edges with six equivalent RuCr6Ru6 cuboctahedra, edges with twelve equivalent CrCr6Ru6 cuboctahedra, faces with eight equivalent RuCr6Ru6 cuboctahedra, and faces with twelve equivalent CrCr6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.66 Å.

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Materials Data on RuW by Materials Project

RuW crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. W is bonded to six equivalent W and six equivalent Ru atoms to form WRu6W6 cuboctahedra that share corners with eighteen equivalent WRu6W6 cuboctahedra, edges with six equivalent WRu6W6 cuboctahedra, edges with twelve equivalent RuRu6W6 cuboctahedra, faces with eight equivalent WRu6W6 cuboctahedra, and faces with twelve equivalent RuRu6W6 cuboctahedra. All W–W bond lengths are 2.79 Å. All W–Ru bond lengths are 2.76 Å. Ru is bonded to six equivalent W and six equivalent Ru atoms to form RuRu6W6 cuboctahedra that share corners with eighteen equivalent RuRu6W6 cuboctahedra, edges with six equivalent RuRu6W6 cuboctahedra, edges with twelve equivalent WRu6W6 cuboctahedra, faces with eight equivalent RuRu6W6 cuboctahedra, and faces with twelve equivalent WRu6W6 cuboctahedra. All Ru–Ru bond lengths are 2.79 Å.

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Materials Data on TaRu3 by Materials Project

TaRu3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded to twelve equivalent Ru atoms to form TaRu12 cuboctahedra that share corners with six equivalent TaRu12 cuboctahedra, corners with twelve equivalent RuTa4Ru8 cuboctahedra, edges with eighteen equivalent RuTa4Ru8 cuboctahedra, faces with eight equivalent TaRu12 cuboctahedra, and faces with twelve equivalent RuTa4Ru8 cuboctahedra. There are six shorter (2.73 Å) and six longer (2.80 Å) Ta–Ru bond lengths. Ru is bonded to four equivalent Ta and eight equivalent Ru atoms to form distorted RuTa4Ru8 cuboctahedra that share corners with four equivalent TaRu12 cuboctahedra, corners with fourteen equivalent RuTa4Ru8 cuboctahedra, edges with six equivalent TaRu12 cuboctahedra, edges with twelve equivalent RuTa4Ru8 cuboctahedra, faces with four equivalent TaRu12 cuboctahedra, and faces with sixteen equivalent RuTa4Ru8 cuboctahedra. There are four shorter (2.73 Å) and four longer (2.80 Å) Ru–Ru bond lengths.

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Materials Data on NdRu3 by Materials Project

NdRu3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Ru atoms to form a mixture of corner, edge, and face-sharing NdRu12 cuboctahedra. All Nd–Ru bond lengths are 3.05 Å. Ru is bonded in a 10-coordinate geometry to four equivalent Nd and six equivalent Ru atoms. There are four shorter (2.61 Å) and two longer (3.16 Å) Ru–Ru bond lengths.

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Materials Data on Mo4Ru by Materials Project

Mo4Ru is Tungsten-derived structured and crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 8-coordinate geometry to six Mo and two equivalent Ru atoms. There are two shorter (2.73 Å) and four longer (2.74 Å) Mo–Mo bond lengths. Both Mo–Ru bond lengths are 2.68 Å. In the second Mo site, Mo is bonded in a distorted body-centered cubic geometry to eight Mo atoms. There are two shorter (2.73 Å) and four longer (2.74 Å) Mo–Mo bond lengths. Ru is bonded in a 8-coordinate geometry to four equivalent Mo and four equivalent Ru atoms. All Ru–Ru bond lengths are 2.74 Å.

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Materials Data on LaGe3Ru by Materials Project

LaRuGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to five equivalent Ru and twelve Ge atoms. There are one shorter (3.49 Å) and four longer (3.54 Å) La–Ru bond lengths. There are a spread of La–Ge bond distances ranging from 3.24–3.46 Å. Ru is bonded in a 5-coordinate geometry to five equivalent La and five Ge atoms. There are one shorter (2.39 Å) and four longer (2.46 Å) Ru–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent La, one Ru, and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.78 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent La, two equivalent Ru, and two equivalent Ge atoms.

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Materials Data on ThSi3Ru by Materials Project

ThRuSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to five equivalent Ru and twelve Si atoms. There are four shorter (3.38 Å) and one longer (3.39 Å) Th–Ru bond lengths. There are a spread of Th–Si bond distances ranging from 3.11–3.38 Å. Ru is bonded in a 5-coordinate geometry to five equivalent Th and five Si atoms. There are one shorter (2.36 Å) and four longer (2.38 Å) Ru–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Th, one Ru, and four equivalent Si atoms. All Si–Si bond lengths are 2.61 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Th, two equivalent Ru, and two equivalent Si atoms.

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