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DOE OSTI2020

Materials Data on Th(PRu)2 by Materials Project

ThRu2P2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Th is bonded in a 1-coordinate geometry to five Ru and eight P atoms. There are a spread of Th–Ru bond distances ranging from 3.11–3.26 Å. There are a spread of Th–P bond distances ranging from 2.89–3.43 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 12-coordinate geometry to two equivalent Th and four P atoms. There are a spread of Ru–P bond distances ranging from 2.24–2.46 Å. In the second Ru site, Ru is bonded in a 12-coordinate geometry to three equivalent Th and five P atoms. There are a spread of Ru–P bond distances ranging from 2.36–2.58 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 10-coordinate geometry to four equivalent Th, four Ru, and two equivalent P atoms. Both P–P bond lengths are 2.61 Å. In the second P site, P is bonded in a 9-coordinate geometry to four equivalent Th and five Ru atoms.

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Materials Data on B3Ru7 by Materials Project

Ru7B3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Ru sites. In the first Ru site, Ru is bonded in a 3-coordinate geometry to three equivalent B atoms. All Ru–B bond lengths are 2.19 Å. In the second Ru site, Ru is bonded in a 3-coordinate geometry to three equivalent B atoms. There are one shorter (2.14 Å) and two longer (2.21 Å) Ru–B bond lengths. In the third Ru site, Ru is bonded in a distorted water-like geometry to two equivalent B atoms. Both Ru–B bond lengths are 2.15 Å. B is bonded in a 6-coordinate geometry to six Ru atoms.

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Materials Data on Dy2(Ga3Ru)3 by Materials Project

Dy2(RuGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Dy–Ga bond distances ranging from 3.03–3.18 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 12-coordinate geometry to eight Ga atoms. There are four shorter (2.61 Å) and four longer (2.63 Å) Ru–Ga bond lengths. In the second Ru site, Ru is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.55–2.65 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Dy, two equivalent Ru, and six Ga atoms. There are four shorter (2.72 Å) and two longer (2.76 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Dy, three Ru, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.74–2.82 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Dy, two equivalent Ru, and six Ga atoms. There are two shorter (2.77 Å) and one longer (2.78 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Dy, three Ru, and three Ga atoms.

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Materials Data on Sr2Ru3O10 by Materials Project

Sr2Ru3O10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.52–3.16 Å. There are two inequivalent Ru+5.33+ sites. In the first Ru+5.33+ site, Ru+5.33+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 48°. There is two shorter (1.96 Å) and four longer (1.97 Å) Ru–O bond length. In the second Ru+5.33+ site, Ru+5.33+ is bonded to six O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 48°. There is two shorter (1.89 Å) and four longer (1.93 Å) Ru–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+ and two equivalent Ru+5.33+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+ and two equivalent Ru+5.33+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Sr2+ and one Ru+5.33+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and two Ru+5.33+ atoms.

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Materials Data on Er3(Si3Ru)4 by Materials Project

Er3(RuSi3)4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to twelve Si2- atoms to form distorted ErSi12 cuboctahedra that share corners with four equivalent ErSi12 cuboctahedra, corners with four equivalent RuSi7 hexagonal pyramids, edges with four equivalent ErSi12 cuboctahedra, edges with two equivalent RuSi7 hexagonal pyramids, and faces with four equivalent ErSi12 cuboctahedra. There are a spread of Er–Si bond distances ranging from 2.97–3.22 Å. In the second Er3+ site, Er3+ is bonded to twelve Si2- atoms to form ErSi12 cuboctahedra that share corners with four equivalent ErSi12 cuboctahedra, corners with four equivalent RuSi7 hexagonal pyramids, edges with eight equivalent ErSi12 cuboctahedra, and faces with four equivalent RuSi7 hexagonal pyramids. There are four shorter (3.02 Å) and eight longer (3.09 Å) Er–Si bond lengths. There are two inequivalent Ru+3.75+ sites. In the first Ru+3.75+ site, Ru+3.75+ is bonded in a 5-coordinate geometry to five Si2- atoms. There are one shorter (2.32 Å) and four longer (2.41 Å) Ru–Si bond lengths. In the second Ru+3.75+ site, Ru+3.75+ is bonded to seven Si2- atoms to form distorted RuSi7 hexagonal pyramids that share corners with six ErSi12 cuboctahedra, corners with four equivalent RuSi7 hexagonal pyramids, edges with two equivalent ErSi12 cuboctahedra, an edgeedge with one RuSi7 hexagonal pyramid, and faces with two equivalent ErSi12 cuboctahedra. There are a spread of Ru–Si bond distances ranging from 2.36–2.52 Å. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 2-coordinate geometry to three Er3+, two Ru+3.75+, and four Si2- atoms. There are a spread of Si–Si bond distances ranging from 2.47–2.68 Å. In the second Si2- site, Si2- is bonded in a 2-coordinate geometry to three Er3+, two Ru+3.75+, and four Si2- atoms. There are one shorter (2.47 Å) and one longer (2.63 Å) Si–Si bond lengths. In the third Si2- site, Si2- is bonded in a 1-coordinate geometry to four equivalent Er3+, one Ru+3.75+, and four Si2- atoms. In the fourth Si2- site, Si2- is bonded in a 9-coordinate geometry to two equivalent Er3+, three equivalent Ru+3.75+, and four Si2- atoms.

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Materials Data on Ce4Ru3 by Materials Project

Ce4Ru3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 1-coordinate geometry to six Ru atoms. There are a spread of Ce–Ru bond distances ranging from 2.73–3.29 Å. In the second Ce site, Ce is bonded in a 4-coordinate geometry to four Ru atoms. There are a spread of Ce–Ru bond distances ranging from 2.73–3.08 Å. In the third Ce site, Ce is bonded in a 6-coordinate geometry to six Ru atoms. There are a spread of Ce–Ru bond distances ranging from 2.74–2.89 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 5-coordinate geometry to seven Ce atoms. In the second Ru site, Ru is bonded in a 2-coordinate geometry to eight Ce atoms.

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Materials Data on Th(GeRu)2 by Materials Project

Th(RuGe)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to eight Ru and eight Ge atoms. There are a spread of Th–Ru bond distances ranging from 3.29–3.31 Å. There are a spread of Th–Ge bond distances ranging from 3.29–3.34 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 4-coordinate geometry to four equivalent Th and four Ge atoms. There are two shorter (2.46 Å) and two longer (2.47 Å) Ru–Ge bond lengths. In the second Ru site, Ru is bonded in a 4-coordinate geometry to four equivalent Th and four Ge atoms. There are three shorter (2.46 Å) and one longer (2.47 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 four equivalent Th, four Ru, and one Ge atom. The Ge–Ge bond length is 2.61 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Th, four Ru, and one Ge atom.

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Materials Data on H4Ru3C9N2O9 by Materials Project

Ru2NH2RuNH2(CO)9 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four azanide;ruthenium(1+) molecules, thirty-six formaldehyde molecules, and four Ru2NH2 clusters. In each Ru2NH2 cluster, there are two inequivalent Ru+2.67+ sites. In the first Ru+2.67+ site, Ru+2.67+ is bonded in a distorted L-shaped geometry to one N3- and one H1+ atom. The Ru–N bond length is 2.13 Å. The Ru–H bond length is 1.82 Å. In the second Ru+2.67+ site, Ru+2.67+ is bonded in a distorted L-shaped geometry to one N3- and one H1+ atom. The Ru–N bond length is 2.13 Å. The Ru–H bond length is 1.84 Å. N3- is bonded in a distorted single-bond geometry to two Ru+2.67+ and one H1+ atom. The N–H bond length is 1.02 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a water-like geometry to two Ru+2.67+ atoms. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.

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Materials Data on BiRu2O7 by Materials Project

Ru2BiO7 crystallizes in the orthorhombic I2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Ru+5.50+ sites. In the first Ru+5.50+ site, Ru+5.50+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six RuO6 octahedra and edges with four equivalent BiO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 43–47°. There are a spread of Ru–O bond distances ranging from 1.89–1.98 Å. In the second Ru+5.50+ site, Ru+5.50+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six RuO6 octahedra and edges with two equivalent BiO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 32–47°. There are a spread of Ru–O bond distances ranging from 1.88–2.00 Å. Bi3+ is bonded to eight O2- atoms to form distorted BiO8 hexagonal bipyramids that share edges with two equivalent BiO8 hexagonal bipyramids and edges with six RuO6 octahedra. There are a spread of Bi–O bond distances ranging from 2.15–2.65 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ru+5.50+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ru+5.50+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Ru+5.50+ and one Bi3+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Ru+5.50+ and one Bi3+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Bi3+ atoms.

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Materials Data on Zr6Al16Ru7 by Materials Project

Zr6Ru7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Ru and eight Al atoms. All Zr–Ru bond lengths are 3.15 Å. There are four shorter (2.90 Å) and four longer (3.03 Å) Zr–Al bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to four equivalent Zr and eight Al atoms to form a mixture of distorted corner and face-sharing RuZr4Al8 cuboctahedra. There are four shorter (2.53 Å) and four longer (2.72 Å) Ru–Al bond lengths. In the second Ru site, Ru is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ru–Al bond lengths are 2.56 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to three equivalent Zr and four Ru atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Zr and three equivalent Ru atoms.

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Materials Data on Sc6Ga16Ru7 by Materials Project

Sc6Ru7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Ru and eight Ga atoms. All Sc–Ru bond lengths are 3.13 Å. There are four shorter (2.85 Å) and four longer (2.91 Å) Sc–Ga bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to four equivalent Sc and eight Ga atoms to form a mixture of distorted corner and face-sharing RuSc4Ga8 cuboctahedra. There are four shorter (2.55 Å) and four longer (2.70 Å) Ru–Ga bond lengths. In the second Ru site, Ru is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ru–Ga bond lengths are 2.66 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 7-coordinate geometry to three equivalent Sc and four Ru atoms. In the second Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Sc and three equivalent Ru atoms.

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Materials Data on Be8Ru by Materials Project

Be8Ru crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are six inequivalent Be sites. In the first Be site, Be is bonded to nine Be and three equivalent Ru atoms to form distorted BeBe9Ru3 cuboctahedra that share corners with six equivalent BeBe10Ru2 cuboctahedra, edges with six equivalent BeBe9Ru3 cuboctahedra, and faces with ten BeBe9Ru3 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.11–2.43 Å. All Be–Ru bond lengths are 2.44 Å. In the second Be site, Be is bonded in a distorted q6 geometry to nine Be and two equivalent Ru atoms. There are a spread of Be–Be bond distances ranging from 2.08–2.41 Å. Both Be–Ru bond lengths are 2.49 Å. In the third Be site, Be is bonded in a 2-coordinate geometry to ten Be and one Ru atom. There are one shorter (2.13 Å) and three longer (2.63 Å) Be–Be bond lengths. The Be–Ru bond length is 2.31 Å. In the fourth Be site, Be is bonded to ten Be and two equivalent Ru atoms to form distorted BeBe10Ru2 cuboctahedra that share corners with eight BeBe9Ru3 cuboctahedra, edges with two equivalent BeBe10Ru2 cuboctahedra, and faces with fourteen BeBe9Ru3 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.03–2.50 Å. Both Be–Ru bond lengths are 2.42 Å. In the fifth Be site, Be is bonded in a 6-coordinate geometry to twelve Be atoms. In the sixth Be site, Be is bonded in a 3-coordinate geometry to twelve Be and three equivalent Ru atoms. All Be–Ru bond lengths are 2.51 Å. Ru is bonded in a 1-coordinate geometry to sixteen Be atoms.

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Materials Data on Li(RuO2)2 by Materials Project

LiRu2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Li–O bond distances ranging from 2.14–2.81 Å. There are two inequivalent Ru+3.50+ sites. In the first Ru+3.50+ site, Ru+3.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RuO6 octahedra. The corner-sharing octahedra tilt angles range from 45–57°. There are a spread of Ru–O bond distances ranging from 1.98–2.09 Å. In the second Ru+3.50+ site, Ru+3.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RuO6 octahedra. The corner-sharing octahedra tilt angles range from 45–57°. There are a spread of Ru–O bond distances ranging from 1.95–2.08 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Li1+ and three Ru+3.50+ atoms. In the second O2- site, O2- is bonded to two equivalent Li1+ and three equivalent Ru+3.50+ atoms to form a mixture of distorted edge and corner-sharing OLi2Ru3 trigonal bipyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Li1+ and three Ru+3.50+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Li1+ and three equivalent Ru+3.50+ atoms to form a mixture of distorted edge and corner-sharing OLi2Ru3 trigonal bipyramids.

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Materials Data on Ti6Ga16Ru7 by Materials Project

Ti6Ru7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to four equivalent Ru and eight Ga atoms. All Ti–Ru bond lengths are 3.08 Å. There are four shorter (2.72 Å) and four longer (2.84 Å) Ti–Ga bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to four equivalent Ti and eight Ga atoms to form a mixture of distorted face and corner-sharing RuTi4Ga8 cuboctahedra. There are four shorter (2.53 Å) and four longer (2.67 Å) Ru–Ga bond lengths. In the second Ru site, Ru is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ru–Ga bond lengths are 2.61 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Ti and three equivalent Ru atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to three equivalent Ti and four Ru atoms.

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Materials Data on Y2(Ga3Ru)3 by Materials Project

Y2(RuGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Y–Ga bond distances ranging from 3.05–3.20 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.57–2.64 Å. In the second Ru site, Ru is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.60–2.63 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Y, two equivalent Ru, and six Ga atoms. There are four shorter (2.73 Å) and two longer (2.75 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Y, three Ru, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.76–3.00 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Y, three Ru, and five Ga atoms. There are one shorter (2.71 Å) and two longer (2.83 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Y, two equivalent Ru, and six Ga atoms. The Ga–Ga bond length is 2.73 Å.

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Materials Data on Ru3F by Materials Project

Ru3F is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ru sites. In the first Ru site, Ru is bonded to four equivalent Ru and four equivalent F atoms to form a mixture of face, edge, and corner-sharing RuRu4F4 tetrahedra. All Ru–Ru bond lengths are 2.58 Å. All Ru–F bond lengths are 2.58 Å. In the second Ru site, Ru is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. F is bonded in a body-centered cubic geometry to eight equivalent Ru atoms.

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Materials Data on Tm2(Ga3Ru)3 by Materials Project

Tm2(RuGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Tm–Ga bond distances ranging from 3.03–3.17 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.55–2.64 Å. In the second Ru site, Ru is bonded in a 8-coordinate geometry to eight Ga atoms. All Ru–Ga bond lengths are 2.60 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Tm, two equivalent Ru, and six Ga atoms. There are four shorter (2.74 Å) and two longer (2.75 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Tm, three Ru, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.76–2.96 Å. In the third Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent Tm, three Ru, and five Ga atoms. There are one shorter (2.73 Å) and two longer (2.83 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Tm, two equivalent Ru, and six Ga atoms. The Ga–Ga bond length is 2.73 Å.

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Materials Data on Y3(Si3Ru)4 by Materials Project

Y3(RuSi3)4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to twelve Si2- atoms to form YSi12 cuboctahedra that share corners with four equivalent YSi12 cuboctahedra, corners with four equivalent RuSi7 hexagonal pyramids, edges with eight equivalent YSi12 cuboctahedra, and faces with four equivalent RuSi7 hexagonal pyramids. There are a spread of Y–Si bond distances ranging from 3.03–3.10 Å. In the second Y3+ site, Y3+ is bonded to twelve Si2- atoms to form distorted YSi12 cuboctahedra that share corners with four equivalent YSi12 cuboctahedra, corners with four equivalent RuSi7 hexagonal pyramids, edges with four equivalent YSi12 cuboctahedra, edges with two equivalent RuSi7 hexagonal pyramids, and faces with four equivalent YSi12 cuboctahedra. There are a spread of Y–Si bond distances ranging from 2.98–3.24 Å. There are two inequivalent Ru+3.75+ sites. In the first Ru+3.75+ site, Ru+3.75+ is bonded to seven Si2- atoms to form distorted RuSi7 hexagonal pyramids that share corners with six YSi12 cuboctahedra, corners with four equivalent RuSi7 hexagonal pyramids, edges with two equivalent YSi12 cuboctahedra, an edgeedge with one RuSi7 hexagonal pyramid, and faces with two equivalent YSi12 cuboctahedra. There are a spread of Ru–Si bond distances ranging from 2.37–2.53 Å. In the second Ru+3.75+ site, Ru+3.75+ is bonded in a 5-coordinate geometry to five Si2- atoms. There are one shorter (2.34 Å) and four longer (2.41 Å) Ru–Si bond lengths. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 1-coordinate geometry to four equivalent Y3+, one Ru+3.75+, and four Si2- atoms. All Si–Si bond lengths are 2.47 Å. In the second Si2- site, Si2- is bonded in a 9-coordinate geometry to two equivalent Y3+, three equivalent Ru+3.75+, and four Si2- atoms. All Si–Si bond lengths are 2.64 Å. In the third Si2- site, Si2- is bonded in a 2-coordinate geometry to three Y3+, two Ru+3.75+, and four Si2- atoms. There are one shorter (2.56 Å) and one longer (2.71 Å) Si–Si bond lengths. In the fourth Si2- site, Si2- is bonded in a 2-coordinate geometry to three Y3+, two Ru+3.75+, and four Si2- atoms.

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