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DOE OSTI2020

Materials Data on Te2Ru4(CO)11 by Materials Project

(Ru2Te(CO)2)2(CO)7 crystallizes in the orthorhombic Pccn space group. The structure is zero-dimensional and consists of twenty-eight formaldehyde molecules and four Ru2Te(CO)2 clusters. In each Ru2Te(CO)2 cluster, there are two inequivalent Ru+3.50+ sites. In the first Ru+3.50+ site, Ru+3.50+ is bonded in a 5-coordinate geometry to two equivalent Te2- atoms. There are one shorter (2.74 Å) and one longer (2.76 Å) Ru–Te bond lengths. In the second Ru+3.50+ site, Ru+3.50+ is bonded in a 4-coordinate geometry to two equivalent Te2- atoms. Both Ru–Te bond lengths are 2.80 Å. There are two inequivalent C+1.09+ sites. In the first C+1.09+ site, C+1.09+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.09+ site, C+1.09+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.17 Å. Te2- is bonded in a 6-coordinate geometry to four Ru+3.50+ and two O2- atoms. There are one shorter (3.54 Å) and one longer (3.81 Å) Te–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.09+ and one Te2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.09+ and one Te2- atom.

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Materials Data on BiRu2(CO)6 by Materials Project

(Ru(CO)3)2Bi crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four bismuth molecules and eight Ru(CO)3 clusters. In each Ru(CO)3 cluster, Ru+4.50+ is bonded in a distorted T-shaped geometry to three C atoms. There is one shorter (1.88 Å) and two longer (1.91 Å) Ru–C bond length. There are three inequivalent C sites. In the first C site, C is bonded in a linear geometry to one Ru+4.50+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C site, C is bonded in a distorted linear geometry to one Ru+4.50+ and one O2- atom. The C–O bond length is 1.17 Å. In the third C site, C is bonded in a linear geometry to one Ru+4.50+ and one O2- atom. The C–O bond length is 1.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C atom.

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Materials Data on K2H17Ru2(SO6)4 by Materials Project

K2Ru2H13(SO6)4(H2)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of two hydrogen molecules and one K2Ru2H13(SO6)4 framework. In the K2Ru2H13(SO6)4 framework, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.62–3.21 Å. Ru+2.50+ is bonded to one H1+ and five O2- atoms to form distorted RuHO5 octahedra that share a cornercorner with one SO4 tetrahedra and an edgeedge with one RuHO5 octahedra. The Ru–H bond length is 1.56 Å. There are a spread of Ru–O bond distances ranging from 1.86–2.52 Å. There are seven inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Ru+2.50+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fourth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.54 Å) H–O bond length. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the seventh H1+ site, H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.22 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.48 Å) and one longer (1.55 Å) S–O bond length. In the second S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one RuHO5 octahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of S–O bond distances ranging from 1.45–1.59 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ru+2.50+ and one O2- atom. The O–O bond length is 1.35 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one K1+, one H1+, and one O2- atom. The O–O bond length is 1.35 Å. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to one K1+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a water-like geometry to one H1+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ru+2.50+ and one S6+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one H1+ and one S6+ atom. In the ninth O2- site, O2- is bonded in a distorted water-like geometry to one Ru+2.50+ and two H1+ atoms. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to one O2- atom. In the eleventh O2- site, O2- is bonded in a water-like geometry to one K1+ and one O2- atom. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ru+2.50+ and one S6+ atom.

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Materials Data on Re3Ru by Materials Project

Re3Ru is beta-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to eight Re and four equivalent Ru atoms to form ReRe8Ru4 cuboctahedra that share corners with four equivalent RuRe10Ru2 cuboctahedra, corners with fourteen equivalent ReRe8Ru4 cuboctahedra, edges with four equivalent RuRe10Ru2 cuboctahedra, edges with fourteen ReRe8Ru4 cuboctahedra, faces with six equivalent RuRe10Ru2 cuboctahedra, and faces with fourteen ReRe8Ru4 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.71–2.77 Å. There are two shorter (2.75 Å) and two longer (2.81 Å) Re–Ru bond lengths. In the second Re site, Re is bonded to nine Re and three equivalent Ru atoms to form distorted ReRe9Ru3 cuboctahedra that share corners with eighteen equivalent ReRe9Ru3 cuboctahedra, edges with six equivalent RuRe10Ru2 cuboctahedra, edges with twelve ReRe8Ru4 cuboctahedra, faces with six equivalent RuRe10Ru2 cuboctahedra, and faces with fourteen ReRe8Ru4 cuboctahedra. There are two shorter (2.77 Å) and four longer (2.78 Å) Re–Re bond lengths. There are two shorter (2.73 Å) and one longer (2.75 Å) Re–Ru bond lengths. Ru is bonded to ten Re and two equivalent Ru atoms to form RuRe10Ru2 cuboctahedra that share corners with four equivalent ReRe8Ru4 cuboctahedra, corners with fourteen equivalent RuRe10Ru2 cuboctahedra, edges with two equivalent RuRe10Ru2 cuboctahedra, edges with sixteen ReRe8Ru4 cuboctahedra, faces with two equivalent RuRe10Ru2 cuboctahedra, and faces with eighteen ReRe8Ru4 cuboctahedra. Both Ru–Ru bond lengths are 2.77 Å.

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Materials Data on Ce2CoRu3 by Materials Project

Ce2Ru3Co crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to nine equivalent Ru and three equivalent Co atoms. There are three shorter (3.09 Å) and six longer (3.10 Å) Ce–Ru bond lengths. All Ce–Co bond lengths are 3.10 Å. Ru is bonded to six equivalent Ce, four equivalent Ru, and two equivalent Co atoms to form RuCe6Co2Ru4 cuboctahedra that share corners with four equivalent CoCe6Ru6 cuboctahedra, corners with fourteen equivalent RuCe6Co2Ru4 cuboctahedra, edges with six equivalent RuCe6Co2Ru4 cuboctahedra, faces with six equivalent CoCe6Ru6 cuboctahedra, and faces with twelve equivalent RuCe6Co2Ru4 cuboctahedra. All Ru–Ru bond lengths are 2.64 Å. Both Ru–Co bond lengths are 2.63 Å. Co is bonded to six equivalent Ce and six equivalent Ru atoms to form CoCe6Ru6 cuboctahedra that share corners with six equivalent CoCe6Ru6 cuboctahedra, corners with twelve equivalent RuCe6Co2Ru4 cuboctahedra, edges with six equivalent CoCe6Ru6 cuboctahedra, and faces with eighteen equivalent RuCe6Co2Ru4 cuboctahedra.

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Materials Data on Sm2GeRu3 by Materials Project

Sm2Ru3Ge crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to four equivalent Sm, nine equivalent Ru, and three equivalent Ge atoms. There are one shorter (3.13 Å) and three longer (3.37 Å) Sm–Sm bond lengths. There are three shorter (3.00 Å) and six longer (3.21 Å) Sm–Ru bond lengths. All Sm–Ge bond lengths are 3.27 Å. Ru is bonded to six equivalent Sm, four equivalent Ru, and two equivalent Ge atoms to form distorted RuSm6Ge2Ru4 cuboctahedra that share corners with four equivalent GeSm6Ru6 cuboctahedra, corners with fourteen equivalent RuSm6Ge2Ru4 cuboctahedra, edges with six equivalent RuSm6Ge2Ru4 cuboctahedra, faces with six equivalent GeSm6Ru6 cuboctahedra, and faces with twelve equivalent RuSm6Ge2Ru4 cuboctahedra. All Ru–Ru bond lengths are 2.80 Å. Both Ru–Ge bond lengths are 2.61 Å. Ge is bonded to six equivalent Sm and six equivalent Ru atoms to form GeSm6Ru6 cuboctahedra that share corners with six equivalent GeSm6Ru6 cuboctahedra, corners with twelve equivalent RuSm6Ge2Ru4 cuboctahedra, edges with six equivalent GeSm6Ru6 cuboctahedra, and faces with eighteen equivalent RuSm6Ge2Ru4 cuboctahedra.

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Materials Data on Nd2Ge2Ru by Materials Project

Nd2RuGe2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 2-coordinate geometry to four equivalent Ru and six Ge atoms. There are a spread of Nd–Ru bond distances ranging from 3.13–3.38 Å. There are a spread of Nd–Ge bond distances ranging from 3.03–3.30 Å. In the second Nd site, Nd is bonded in a 6-coordinate geometry to two equivalent Ru and six Ge atoms. Both Nd–Ru bond lengths are 3.42 Å. There are a spread of Nd–Ge bond distances ranging from 2.98–3.41 Å. Ru is bonded in a 4-coordinate geometry to six Nd and four Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.49–2.64 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to five Nd and three equivalent Ru atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Nd, one Ru, and one Ge atom. The Ge–Ge bond length is 2.73 Å.

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Materials Data on URu2Rh by Materials Project

URu2Rh is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded to eight equivalent Ru and four equivalent Rh atoms to form URu8Rh4 cuboctahedra that share corners with twelve equivalent URu8Rh4 cuboctahedra, edges with eight equivalent RhU4Ru8 cuboctahedra, edges with sixteen equivalent RuU4Ru4Rh4 cuboctahedra, faces with four equivalent RhU4Ru8 cuboctahedra, faces with six equivalent URu8Rh4 cuboctahedra, and faces with eight equivalent RuU4Ru4Rh4 cuboctahedra. All U–Ru bond lengths are 2.82 Å. All U–Rh bond lengths are 2.86 Å. Ru is bonded to four equivalent U, four equivalent Ru, and four equivalent Rh atoms to form distorted RuU4Ru4Rh4 cuboctahedra that share corners with twelve equivalent RuU4Ru4Rh4 cuboctahedra, edges with eight equivalent URu8Rh4 cuboctahedra, edges with eight equivalent RuU4Ru4Rh4 cuboctahedra, edges with eight equivalent RhU4Ru8 cuboctahedra, faces with four equivalent URu8Rh4 cuboctahedra, faces with four equivalent RhU4Ru8 cuboctahedra, and faces with ten equivalent RuU4Ru4Rh4 cuboctahedra. All Ru–Ru bond lengths are 2.86 Å. All Ru–Rh bond lengths are 2.82 Å. Rh is bonded to four equivalent U and eight equivalent Ru atoms to form RhU4Ru8 cuboctahedra that share corners with twelve equivalent RhU4Ru8 cuboctahedra, edges with eight equivalent URu8Rh4 cuboctahedra, edges with sixteen equivalent RuU4Ru4Rh4 cuboctahedra, faces with four equivalent URu8Rh4 cuboctahedra, faces with six equivalent RhU4Ru8 cuboctahedra, and faces with eight equivalent RuU4Ru4Rh4 cuboctahedra.

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Materials Data on Y2NiRu3 by Materials Project

Y2Ru3Ni is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to nine equivalent Ru and three equivalent Ni atoms. There are six shorter (3.08 Å) and three longer (3.12 Å) Y–Ru bond lengths. All Y–Ni bond lengths are 3.08 Å. Ru is bonded to six equivalent Y, four equivalent Ru, and two equivalent Ni atoms to form RuY6Ni2Ru4 cuboctahedra that share corners with four equivalent NiY6Ru6 cuboctahedra, corners with fourteen equivalent RuY6Ni2Ru4 cuboctahedra, edges with six equivalent RuY6Ni2Ru4 cuboctahedra, faces with six equivalent NiY6Ru6 cuboctahedra, and faces with twelve equivalent RuY6Ni2Ru4 cuboctahedra. All Ru–Ru bond lengths are 2.63 Å. Both Ru–Ni bond lengths are 2.65 Å. Ni is bonded to six equivalent Y and six equivalent Ru atoms to form NiY6Ru6 cuboctahedra that share corners with six equivalent NiY6Ru6 cuboctahedra, corners with twelve equivalent RuY6Ni2Ru4 cuboctahedra, edges with six equivalent NiY6Ru6 cuboctahedra, and faces with eighteen equivalent RuY6Ni2Ru4 cuboctahedra.

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Materials Data on Lu3Ge3Ru2 by Materials Project

Lu3Ru2Ge3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 10-coordinate geometry to four equivalent Ru and six Ge atoms. There are one shorter (3.07 Å) and three longer (3.11 Å) Lu–Ru bond lengths. There are a spread of Lu–Ge bond distances ranging from 2.96–3.10 Å. In the second Lu site, Lu is bonded in a 9-coordinate geometry to four equivalent Ru and five Ge atoms. All Lu–Ru bond lengths are 3.19 Å. There are a spread of Lu–Ge bond distances ranging from 2.89–3.25 Å. Ru is bonded in a 10-coordinate geometry to six Lu and four Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.44–2.66 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to five Lu, three equivalent Ru, and one Ge atom. The Ge–Ge bond length is 2.66 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Lu and two equivalent Ru atoms.

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Materials Data on Er3Ge3Ru2 by Materials Project

Er3Ru2Ge3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 10-coordinate geometry to four equivalent Ru and six Ge atoms. There are a spread of Er–Ru bond distances ranging from 3.09–3.15 Å. There are a spread of Er–Ge bond distances ranging from 2.98–3.13 Å. In the second Er site, Er is bonded in a 9-coordinate geometry to four equivalent Ru and five Ge atoms. All Er–Ru bond lengths are 3.22 Å. There are a spread of Er–Ge bond distances ranging from 2.92–3.31 Å. Ru is bonded in a 10-coordinate geometry to six Er and four Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.45–2.67 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to five Er, three equivalent Ru, and one Ge atom. The Ge–Ge bond length is 2.71 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Er and two equivalent Ru atoms.

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Materials Data on Ce2FeRu3 by Materials Project

Ce2Ru3Fe crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to four equivalent Ce, nine equivalent Ru, and three equivalent Fe atoms. There are one shorter (3.05 Å) and three longer (3.30 Å) Ce–Ce bond lengths. There are three shorter (2.91 Å) and six longer (3.14 Å) Ce–Ru bond lengths. All Ce–Fe bond lengths are 3.20 Å. Ru is bonded to six equivalent Ce, four equivalent Ru, and two equivalent Fe atoms to form distorted RuCe6Fe2Ru4 cuboctahedra that share corners with four equivalent FeCe6Ru6 cuboctahedra, corners with fourteen equivalent RuCe6Fe2Ru4 cuboctahedra, edges with six equivalent RuCe6Fe2Ru4 cuboctahedra, faces with six equivalent FeCe6Ru6 cuboctahedra, and faces with twelve equivalent RuCe6Fe2Ru4 cuboctahedra. All Ru–Ru bond lengths are 2.74 Å. Both Ru–Fe bond lengths are 2.54 Å. Fe is bonded to six equivalent Ce and six equivalent Ru atoms to form distorted FeCe6Ru6 cuboctahedra that share corners with six equivalent FeCe6Ru6 cuboctahedra, corners with twelve equivalent RuCe6Fe2Ru4 cuboctahedra, edges with six equivalent FeCe6Ru6 cuboctahedra, and faces with eighteen equivalent RuCe6Fe2Ru4 cuboctahedra.

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Materials Data on HoFeRu by Materials Project

HoRuFe crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to six equivalent Ru and six equivalent Fe atoms. There are four shorter (3.01 Å) and two longer (3.03 Å) Ho–Ru bond lengths. There are two shorter (2.96 Å) and four longer (3.10 Å) Ho–Fe bond lengths. Ru is bonded to six equivalent Ho, two equivalent Ru, and four equivalent Fe atoms to form distorted RuHo6Fe4Ru2 cuboctahedra that share corners with eight equivalent FeHo6Fe2Ru4 cuboctahedra, corners with ten equivalent RuHo6Fe4Ru2 cuboctahedra, edges with six equivalent RuHo6Fe4Ru2 cuboctahedra, faces with six equivalent RuHo6Fe4Ru2 cuboctahedra, and faces with twelve equivalent FeHo6Fe2Ru4 cuboctahedra. Both Ru–Ru bond lengths are 2.67 Å. All Ru–Fe bond lengths are 2.58 Å. Fe is bonded to six equivalent Ho, four equivalent Ru, and two equivalent Fe atoms to form FeHo6Fe2Ru4 cuboctahedra that share corners with eight equivalent RuHo6Fe4Ru2 cuboctahedra, corners with ten equivalent FeHo6Fe2Ru4 cuboctahedra, edges with six equivalent FeHo6Fe2Ru4 cuboctahedra, faces with six equivalent FeHo6Fe2Ru4 cuboctahedra, and faces with twelve equivalent RuHo6Fe4Ru2 cuboctahedra. Both Fe–Fe bond lengths are 2.54 Å.

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Materials Data on Ho2Ge2Ru by Materials Project

Ho2RuGe2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 2-coordinate geometry to four equivalent Ru and seven Ge atoms. There are a spread of Ho–Ru bond distances ranging from 3.06–3.17 Å. There are a spread of Ho–Ge bond distances ranging from 2.94–3.43 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to two equivalent Ru and six Ge atoms. Both Ho–Ru bond lengths are 3.28 Å. There are a spread of Ho–Ge bond distances ranging from 2.90–3.20 Å. Ru is bonded in a 10-coordinate geometry to six Ho and four Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.46–2.62 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Ho, three equivalent Ru, and one Ge atom. The Ge–Ge bond length is 2.75 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Ho, one Ru, and one Ge atom. The Ge–Ge bond length is 2.66 Å.

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Materials Data on IrOsRu by Materials Project

OsRuIr is Copper-derived structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Os is bonded to six equivalent Os, three equivalent Ru, and three equivalent Ir atoms to form OsIr3Os6Ru3 cuboctahedra that share corners with three equivalent RuIr3Os3Ru6 cuboctahedra, corners with three equivalent IrIr6Os3Ru3 cuboctahedra, corners with six equivalent OsIr3Os6Ru3 cuboctahedra, edges with six equivalent OsIr3Os6Ru3 cuboctahedra, edges with nine equivalent RuIr3Os3Ru6 cuboctahedra, edges with nine equivalent IrIr6Os3Ru3 cuboctahedra, faces with six equivalent OsIr3Os6Ru3 cuboctahedra, faces with six equivalent RuIr3Os3Ru6 cuboctahedra, and faces with six equivalent IrIr6Os3Ru3 cuboctahedra. All Os–Os bond lengths are 2.73 Å. All Os–Ru bond lengths are 2.67 Å. All Os–Ir bond lengths are 2.75 Å. Ru is bonded to three equivalent Os, six equivalent Ru, and three equivalent Ir atoms to form RuIr3Os3Ru6 cuboctahedra that share corners with three equivalent OsIr3Os6Ru3 cuboctahedra, corners with three equivalent IrIr6Os3Ru3 cuboctahedra, corners with six equivalent RuIr3Os3Ru6 cuboctahedra, edges with six equivalent RuIr3Os3Ru6 cuboctahedra, edges with nine equivalent OsIr3Os6Ru3 cuboctahedra, edges with nine equivalent IrIr6Os3Ru3 cuboctahedra, faces with six equivalent OsIr3Os6Ru3 cuboctahedra, faces with six equivalent RuIr3Os3Ru6 cuboctahedra, and faces with six equivalent IrIr6Os3Ru3 cuboctahedra. All Ru–Ru bond lengths are 2.73 Å. All Ru–Ir bond lengths are 2.76 Å. Ir is bonded to three equivalent Os, three equivalent Ru, and six equivalent Ir atoms to form IrIr6Os3Ru3 cuboctahedra that share corners with three equivalent OsIr3Os6Ru3 cuboctahedra, corners with three equivalent RuIr3Os3Ru6 cuboctahedra, corners with six equivalent IrIr6Os3Ru3 cuboctahedra, edges with six equivalent IrIr6Os3Ru3 cuboctahedra, edges with nine equivalent OsIr3Os6Ru3 cuboctahedra, edges with nine equivalent RuIr3Os3Ru6 cuboctahedra, faces with six equivalent OsIr3Os6Ru3 cuboctahedra, faces with six equivalent RuIr3Os3Ru6 cuboctahedra, and faces with six equivalent IrIr6Os3Ru3 cuboctahedra. All Ir–Ir bond lengths are 2.73 Å.

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Materials Data on KRu2C4(ClO4)2 by Materials Project

KRu2C4(O4Cl)2 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to four O2- and four equivalent Cl1- atoms. There are two shorter (2.81 Å) and two longer (3.16 Å) K–O bond lengths. There are two shorter (3.21 Å) and two longer (3.48 Å) K–Cl bond lengths. Ru+4.50+ is bonded in a square pyramidal geometry to four O2- and one Cl1- atom. There are two shorter (2.15 Å) and two longer (2.16 Å) Ru–O bond lengths. The Ru–Cl bond length is 2.49 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted bent 150 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.23 Å. In the second C2+ site, C2+ is bonded in a distorted bent 150 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ru+4.50+ and one C2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Ru+4.50+, and one C2+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Ru+4.50+ and one C2+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Ru+4.50+, and one C2+ atom. Cl1- is bonded in a 2-coordinate geometry to two equivalent K1+ and one Ru+4.50+ atom.

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Materials Data on Tm3Ge3Ru2 by Materials Project

Tm3Ru2Ge3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 2-coordinate geometry to four equivalent Ru and six Ge atoms. There are a spread of Tm–Ru bond distances ranging from 3.08–3.13 Å. There are a spread of Tm–Ge bond distances ranging from 2.97–3.12 Å. In the second Tm site, Tm is bonded in a 9-coordinate geometry to four equivalent Ru and five Ge atoms. All Tm–Ru bond lengths are 3.21 Å. There are a spread of Tm–Ge bond distances ranging from 2.91–3.29 Å. Ru is bonded in a 10-coordinate geometry to six Tm and four Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.44–2.67 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to five Tm, three equivalent Ru, and one Ge atom. The Ge–Ge bond length is 2.69 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Tm and two equivalent Ru atoms.

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Materials Data on NbPRu by Materials Project

NbRuP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nb is bonded in a 5-coordinate geometry to six equivalent Ru and five equivalent P atoms. There are a spread of Nb–Ru bond distances ranging from 2.88–2.95 Å. There are a spread of Nb–P bond distances ranging from 2.64–2.73 Å. Ru is bonded in a 12-coordinate geometry to six equivalent Nb, two equivalent Ru, and four equivalent P atoms. Both Ru–Ru bond lengths are 2.78 Å. There are a spread of Ru–P bond distances ranging from 2.37–2.43 Å. P is bonded in a 9-coordinate geometry to five equivalent Nb and four equivalent Ru atoms.

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