Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Ru”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Y(Sn3Ru2)2 by Materials Project

YRu4Sn6 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to four equivalent Ru and twelve Sn atoms. All Y–Ru bond lengths are 3.29 Å. There are a spread of Y–Sn bond distances ranging from 3.38–3.77 Å. Ru is bonded in a 7-coordinate geometry to one Y, two equivalent Ru, and six Sn atoms. Both Ru–Ru bond lengths are 2.84 Å. There are a spread of Ru–Sn bond distances ranging from 2.60–2.81 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Y and four equivalent Ru atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to two equivalent Y and four equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H3Ru3C10ClO9 by Materials Project

(RuH)3(CO)9CCl crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four chloromethane molecules, thirty-six formaldehyde molecules, and four RuH clusters. In each RuH 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 two equivalent H1+ atoms. Both Ru–H bond lengths are 1.82 Å. In the second Ru+2.67+ site, Ru+2.67+ is bonded in an L-shaped geometry to two H1+ atoms. There is one shorter (1.81 Å) and one longer (1.82 Å) Ru–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a water-like geometry to two equivalent Ru+2.67+ atoms. In the second H1+ site, H1+ is bonded in a water-like geometry to two Ru+2.67+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H16Ru3C6(Cl3O7)2 by Materials Project

RuH12O6(RuC3(OCl)3)2(H2O)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one ruthenium;hexahydrate molecule, two water molecules, and two RuC3(OCl)3 clusters. In each RuC3(OCl)3 cluster, Ru+3.33+ is bonded in a distorted octahedral geometry to three C+1.33+ and three Cl1- atoms. There are a spread of Ru–C bond distances ranging from 1.88–1.90 Å. There are a spread of Ru–Cl bond distances ranging from 2.44–2.49 Å. There are three inequivalent C+1.33+ sites. In the first C+1.33+ site, C+1.33+ is bonded in a single-bond geometry to one Ru+3.33+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.33+ site, C+1.33+ is bonded in a single-bond geometry to one Ru+3.33+ and one O2- atom. The C–O bond length is 1.15 Å. In the third C+1.33+ site, C+1.33+ is bonded in a single-bond geometry to one Ru+3.33+ and one O2- atom. The C–O bond length is 1.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru+3.33+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru+3.33+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru+3.33+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrAsRu by Materials Project

ZrRuAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to six equivalent Ru and five As atoms. There are two shorter (2.99 Å) and four longer (3.12 Å) Zr–Ru bond lengths. There are one shorter (2.77 Å) and four longer (2.80 Å) Zr–As bond lengths. Ru is bonded to six equivalent Zr, two equivalent Ru, and four As atoms to form a mixture of distorted edge, face, and corner-sharing RuZr6As4Ru2 cuboctahedra. Both Ru–Ru bond lengths are 2.80 Å. There are two shorter (2.55 Å) and two longer (2.56 Å) Ru–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Ru atoms. In the second As site, As is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba4Er(RuO4)3 by Materials Project

Ba4Er(RuO4)3 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with nine BaO12 cuboctahedra, corners with three equivalent RuO6 octahedra, faces with seven BaO12 cuboctahedra, faces with three equivalent ErO6 octahedra, and faces with four equivalent RuO6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are a spread of Ba–O bond distances ranging from 2.90–3.12 Å. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with nine BaO12 cuboctahedra, corners with three equivalent RuO6 octahedra, faces with seven BaO12 cuboctahedra, a faceface with one ErO6 octahedra, and faces with six RuO6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are a spread of Ba–O bond distances ranging from 2.97–3.09 Å. Er3+ is bonded to six equivalent O2- atoms to form ErO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with eight BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. All Er–O bond lengths are 2.19 Å. There are two inequivalent Ru+4.33+ sites. In the first Ru+4.33+ site, Ru+4.33+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with three equivalent BaO12 cuboctahedra, corners with three equivalent ErO6 octahedra, faces with seven BaO12 cuboctahedra, and a faceface with one RuO6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are three shorter (1.96 Å) and three longer (2.05 Å) Ru–O bond lengths. In the second Ru+4.33+ site, Ru+4.33+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with two equivalent RuO6 octahedra. All Ru–O bond lengths are 2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four Ba2+, one Er3+, and one Ru+4.33+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+ and two Ru+4.33+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y(Al5Ru)2 by Materials Project

Y(RuAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to four equivalent Ru and fourteen Al atoms. All Y–Ru bond lengths are 3.46 Å. There are a spread of Y–Al bond distances ranging from 3.16–3.34 Å. Ru is bonded in a 10-coordinate geometry to two equivalent Y and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.57–2.76 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Y and two equivalent Ru atoms. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Y and two equivalent Ru atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Y and two equivalent Ru atoms. In the fourth Al site, Al is bonded in a distorted bent 120 degrees geometry to one Y and two equivalent Ru atoms. In the fifth Al site, Al is bonded in a 12-coordinate geometry to one Y and two equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb(Al5Ru)2 by Materials Project

TbRu2Al10 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 10-coordinate geometry to four equivalent Ru and sixteen Al atoms. All Tb–Ru bond lengths are 3.47 Å. There are a spread of Tb–Al bond distances ranging from 3.16–3.70 Å. Ru is bonded in a 10-coordinate geometry to two equivalent Tb and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.57–2.76 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Tb, two equivalent Ru, and two equivalent Al atoms. Both Al–Al bond lengths are 3.06 Å. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Tb, two equivalent Ru, and two equivalent Al atoms. Both Al–Al bond lengths are 2.87 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tb, two equivalent Ru, and two equivalent Al atoms. Both Al–Al bond lengths are 2.93 Å. In the fourth Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent Tb, two equivalent Ru, and two equivalent Al atoms. There are one shorter (2.67 Å) and one longer (2.82 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 12-coordinate geometry to one Tb, two equivalent Ru, and nine Al atoms. The Al–Al bond length is 2.71 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm(Al5Ru)2 by Materials Project

Sm(RuAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to four equivalent Ru and sixteen Al atoms. All Sm–Ru bond lengths are 3.48 Å. There are a spread of Sm–Al bond distances ranging from 3.18–3.69 Å. Ru is bonded in a 10-coordinate geometry to two equivalent Sm and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.58–2.77 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Sm and two equivalent Ru atoms. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Sm and two equivalent Ru atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Sm and two equivalent Ru atoms. In the fourth Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent Sm and two equivalent Ru atoms. In the fifth Al site, Al is bonded in a 12-coordinate geometry to one Sm and two equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er(Al5Ru)2 by Materials Project

Er(RuAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to four equivalent Ru and fourteen Al atoms. All Er–Ru bond lengths are 3.47 Å. There are a spread of Er–Al bond distances ranging from 3.14–3.35 Å. Ru is bonded in a 10-coordinate geometry to two equivalent Er and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.57–2.76 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Er and two equivalent Ru atoms. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Er and two equivalent Ru atoms. In the third Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent Er and two equivalent Ru atoms. In the fourth Al site, Al is bonded in a distorted bent 120 degrees geometry to one Er and two equivalent Ru atoms. In the fifth Al site, Al is bonded in a 12-coordinate geometry to one Er and two equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MoPRu by Materials Project

MoRuP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mo is bonded in a 1-coordinate geometry to six equivalent Ru and five P atoms. There are two shorter (2.81 Å) and four longer (2.91 Å) Mo–Ru bond lengths. There are one shorter (2.47 Å) and four longer (2.68 Å) Mo–P bond lengths. Ru is bonded in a 12-coordinate geometry to six equivalent Mo, two equivalent Ru, and four P atoms. Both Ru–Ru bond lengths are 2.75 Å. There are two shorter (2.28 Å) and two longer (2.51 Å) Ru–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to six equivalent Mo and three equivalent Ru atoms. In the second P site, P is bonded in a 9-coordinate geometry to three equivalent Mo and six equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho(Al5Ru)2 by Materials Project

Ho(RuAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 10-coordinate geometry to four equivalent Ru and fourteen Al atoms. All Ho–Ru bond lengths are 3.47 Å. There are a spread of Ho–Al bond distances ranging from 3.15–3.35 Å. Ru is bonded in a 10-coordinate geometry to two equivalent Ho and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.57–2.76 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Ho and two equivalent Ru atoms. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Ho and two equivalent Ru atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ho and two equivalent Ru atoms. In the fourth Al site, Al is bonded in a distorted bent 120 degrees geometry to one Ho and two equivalent Ru atoms. In the fifth Al site, Al is bonded in a 12-coordinate geometry to one Ho and two equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd(Al5Ru)2 by Materials Project

Gd(RuAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd is bonded in a 10-coordinate geometry to four equivalent Ru and sixteen Al atoms. All Gd–Ru bond lengths are 3.47 Å. There are a spread of Gd–Al bond distances ranging from 3.16–3.69 Å. Ru is bonded in a 10-coordinate geometry to two equivalent Gd and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.57–2.75 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent Gd and two equivalent Ru atoms. In the second Al site, Al is bonded in a 12-coordinate geometry to one Gd and two equivalent Ru atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Gd and two equivalent Ru atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to one Gd and two equivalent Ru atoms. In the fifth Al site, Al is bonded in a distorted linear geometry to two equivalent Gd and two equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs2La10Ru2I17 by Materials Project

Cs2La10Ru2I17 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twelve I atoms. There are a spread of Cs–I bond distances ranging from 4.24–4.60 Å. There are four inequivalent La sites. In the first La site, La is bonded to one Ru and five I atoms to form a mixture of edge and corner-sharing LaRuI5 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. The La–Ru bond length is 2.88 Å. There are a spread of La–I bond distances ranging from 3.23–3.48 Å. In the second La site, La is bonded to one Ru and five I atoms to form distorted LaRuI5 octahedra that share corners with five LaRu2I4 octahedra and edges with five LaRuI5 octahedra. The corner-sharing octahedra tilt angles range from 6–9°. The La–Ru bond length is 2.83 Å. There are four shorter (3.28 Å) and one longer (3.49 Å) La–I bond lengths. In the third La site, La is bonded to two equivalent Ru and four I atoms to form a mixture of distorted edge and corner-sharing LaRu2I4 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. There are one shorter (2.87 Å) and one longer (3.01 Å) La–Ru bond lengths. There are a spread of La–I bond distances ranging from 3.38–3.55 Å. In the fourth La site, La is bonded to one Ru and five I atoms to form a mixture of distorted edge and corner-sharing LaRuI5 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. The La–Ru bond length is 2.73 Å. There are a spread of La–I bond distances ranging from 3.25–3.52 Å. Ru is bonded to six La atoms to form edge-sharing RuLa6 octahedra. There are six inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to one Cs and three La atoms. In the second I site, I is bonded in a distorted T-shaped geometry to two equivalent Cs and three La atoms. In the third I site, I is bonded in a 4-coordinate geometry to one Cs and three La atoms. In the fourth I site, I is bonded in a 3-coordinate geometry to two equivalent Cs and three La atoms. In the fifth I site, I is bonded in a distorted square co-planar geometry to four La atoms. In the sixth I site, I is bonded in a 2-coordinate geometry to two equivalent Cs and two La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(Al5Ru)2 by Materials Project

La(RuAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 10-coordinate geometry to four equivalent Ru and sixteen Al atoms. All La–Ru bond lengths are 3.51 Å. There are a spread of La–Al bond distances ranging from 3.22–3.68 Å. Ru is bonded in a 10-coordinate geometry to two equivalent La and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.59–2.79 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one La, two equivalent Ru, and two equivalent Al atoms. Both Al–Al bond lengths are 3.07 Å. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent La, two equivalent Ru, and two equivalent Al atoms. Both Al–Al bond lengths are 2.90 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent La, two equivalent Ru, and two equivalent Al atoms. Both Al–Al bond lengths are 2.90 Å. In the fourth Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent La, two equivalent Ru, and two equivalent Al atoms. There are one shorter (2.68 Å) and one longer (2.84 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 12-coordinate geometry to one La, two equivalent Ru, and nine Al atoms. The Al–Al bond length is 2.70 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3Sn6Ru by Materials Project

Ce3RuSn6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 11-coordinate geometry to one Ru and ten Sn atoms. The Ce–Ru bond length is 3.30 Å. There are a spread of Ce–Sn bond distances ranging from 3.21–3.39 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to two equivalent Ru and ten Sn atoms. Both Ce–Ru bond lengths are 3.54 Å. There are a spread of Ce–Sn bond distances ranging from 3.19–3.75 Å. Ru is bonded in a 10-coordinate geometry to five Ce and five Sn atoms. There are a spread of Ru–Sn bond distances ranging from 2.62–2.64 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to six Ce and two Sn atoms. There are one shorter (2.99 Å) and one longer (3.17 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 1-coordinate geometry to six Ce, one Ru, and two equivalent Sn atoms. In the third Sn site, Sn is bonded in a 2-coordinate geometry to four Ce, one Ru, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.96 Å. In the fourth Sn site, Sn is bonded in a 6-coordinate geometry to four Ce and two equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(Al5Ru)2 by Materials Project

URu2Al10 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U is bonded in a 10-coordinate geometry to four equivalent Ru and sixteen Al atoms. All U–Ru bond lengths are 3.45 Å. There are a spread of U–Al bond distances ranging from 3.15–3.63 Å. Ru is bonded in a 10-coordinate geometry to two equivalent U and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.58–2.74 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a distorted linear geometry to two equivalent U and two equivalent Ru atoms. In the second Al site, Al is bonded in a 2-coordinate geometry to one U and two equivalent Ru atoms. In the third Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent U and two equivalent Ru atoms. In the fourth Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent U and two equivalent Ru atoms. In the fifth Al site, Al is bonded in a 12-coordinate geometry to one U and two equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd(Al5Ru)2 by Materials Project

Nd(RuAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to four equivalent Ru and sixteen Al atoms. All Nd–Ru bond lengths are 3.49 Å. There are a spread of Nd–Al bond distances ranging from 3.20–3.69 Å. Ru is bonded in a 10-coordinate geometry to two equivalent Nd and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.59–2.78 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Nd, two equivalent Ru, and two equivalent Al atoms. Both Al–Al bond lengths are 3.06 Å. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Nd, two equivalent Ru, and two equivalent Al atoms. Both Al–Al bond lengths are 2.89 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalent Ru, and two equivalent Al atoms. Both Al–Al bond lengths are 2.92 Å. In the fourth Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent Nd, two equivalent Ru, and two equivalent Al atoms. There are one shorter (2.68 Å) and one longer (2.84 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 12-coordinate geometry to one Nd, two equivalent Ru, and nine Al atoms. The Al–Al bond length is 2.70 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb(Al5Ru)2 by Materials Project

Yb(RuAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb is bonded in a 10-coordinate geometry to four equivalent Ru and fourteen Al atoms. All Yb–Ru bond lengths are 3.47 Å. There are a spread of Yb–Al bond distances ranging from 3.18–3.33 Å. Ru is bonded in a 10-coordinate geometry to two equivalent Yb and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.57–2.75 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a distorted bent 120 degrees geometry to one Yb, two equivalent Ru, and two equivalent Al atoms. There are one shorter (2.67 Å) and one longer (2.81 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to one Yb, two equivalent Ru, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.77–3.03 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Yb, two equivalent Ru, and two equivalent Al atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to one Yb, two equivalent Ru, and two equivalent Al atoms. In the fifth Al site, Al is bonded in a distorted linear geometry to two equivalent Yb, two equivalent Ru, and two equivalent Al atoms.

36 MATERIALS SCIENCE↗