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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NbBRu by Materials Project

NbRuB crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 11-coordinate geometry to six Ru and five B atoms. There are four shorter (2.77 Å) and two longer (2.89 Å) Nb–Ru bond lengths. There are a spread of Nb–B bond distances ranging from 2.38–2.70 Å. In the second Nb site, Nb is bonded in a 11-coordinate geometry to six Ru and five B atoms. There are two shorter (2.73 Å) and four longer (2.78 Å) Nb–Ru bond lengths. There are four shorter (2.50 Å) and one longer (2.60 Å) Nb–B bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 2-coordinate geometry to six Nb and three B atoms. There are two shorter (2.23 Å) and one longer (2.48 Å) Ru–B bond lengths. In the second Ru site, Ru is bonded in a 10-coordinate geometry to six Nb and four B atoms. There are two shorter (2.24 Å) and two longer (2.45 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 Nb and six Ru atoms. In the second B site, B is bonded in a 9-coordinate geometry to six Nb, two Ru, and one B atom. The B–B bond length is 1.91 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy3(Al3Ru)4 by Materials Project

Dy3Ru4Al12 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Dy is bonded in a 5-coordinate geometry to four equivalent Ru and eleven Al atoms. All Dy–Ru bond lengths are 3.36 Å. There are a spread of Dy–Al bond distances ranging from 2.94–3.20 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Dy and eight Al atoms. There are a spread of Ru–Al bond distances ranging from 2.54–2.68 Å. In the second Ru site, Ru is bonded in a body-centered cubic geometry to eight Al atoms. There are two shorter (2.39 Å) and six longer (2.58 Å) Ru–Al bond lengths. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Dy and two equivalent Ru atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Dy and three Ru atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Dy and three equivalent Ru atoms. In the fourth Al site, Al is bonded in a distorted linear geometry to three equivalent Dy and two equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdRu2 by Materials Project

NdRu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to twelve Ru atoms. There are a spread of Nd–Ru bond distances ranging from 3.14–3.27 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six equivalent Nd and six equivalent Ru atoms to form a mixture of face, edge, and corner-sharing RuNd6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.78 Å. In the second Ru site, Ru is bonded to six equivalent Nd and six Ru atoms to form a mixture of face, edge, and corner-sharing RuNd6Ru6 cuboctahedra. There are two shorter (2.61 Å) and two longer (2.72 Å) Ru–Ru bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CuP4(RuO7)2 by Materials Project

CuP4(RuO7)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. 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 RuO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Ru–O bond distances ranging from 1.99–2.13 Å. In the second Ru+3.50+ site, Ru+3.50+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Ru–O bond distances ranging from 2.00–2.04 Å. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.97 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three RuO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–57°. There are a spread of P–O bond distances ranging from 1.53–1.62 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three RuO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 32–60°. There are a spread of P–O bond distances ranging from 1.51–1.59 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ru+3.50+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ru+3.50+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Ru+3.50+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ru+3.50+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ru+3.50+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a trigonal planar geometry to one Ru+3.50+, one Cu1+, and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbRu2 by Materials Project

TbRu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve Ru atoms. There are a spread of Tb–Ru bond distances ranging from 3.10–3.21 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six equivalent Tb and six equivalent Ru atoms to form a mixture of face, edge, and corner-sharing RuTb6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.74 Å. In the second Ru site, Ru is bonded to six equivalent Tb and six Ru atoms to form a mixture of face, edge, and corner-sharing RuTb6Ru6 cuboctahedra. There are two shorter (2.56 Å) and two longer (2.71 Å) Ru–Ru bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbRu3 by Materials Project

Ru3Nb is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nb is bonded to six equivalent Nb and six equivalent Ru atoms to form NbNb6Ru6 cuboctahedra that share corners with six equivalent NbNb6Ru6 cuboctahedra, corners with twelve equivalent RuRu12 cuboctahedra, edges with six equivalent NbNb6Ru6 cuboctahedra, edges with twelve equivalent RuNb3Ru9 cuboctahedra, faces with six equivalent NbNb6Ru6 cuboctahedra, and faces with fourteen RuRu12 cuboctahedra. All Nb–Nb bond lengths are 2.78 Å. All Nb–Ru bond lengths are 2.88 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to twelve Ru atoms to form RuRu12 cuboctahedra that share corners with six equivalent RuRu12 cuboctahedra, corners with twelve equivalent NbNb6Ru6 cuboctahedra, edges with eighteen RuRu12 cuboctahedra, faces with two equivalent NbNb6Ru6 cuboctahedra, and faces with eighteen RuRu12 cuboctahedra. There are six shorter (2.66 Å) and six longer (2.78 Å) Ru–Ru bond lengths. In the second Ru site, Ru is bonded to three equivalent Nb and nine Ru atoms to form distorted RuNb3Ru9 cuboctahedra that share corners with eighteen equivalent RuNb3Ru9 cuboctahedra, edges with six equivalent NbNb6Ru6 cuboctahedra, edges with twelve RuRu12 cuboctahedra, faces with six equivalent NbNb6Ru6 cuboctahedra, and faces with fourteen RuRu12 cuboctahedra. All Ru–Ru bond lengths are 2.78 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3(Al3Ru)4 by Materials Project

Nd3Ru4Al12 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded in a 1-coordinate geometry to four equivalent Ru and eleven Al atoms. All Nd–Ru bond lengths are 3.40 Å. There are a spread of Nd–Al bond distances ranging from 2.96–3.23 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a body-centered cubic geometry to eight Al atoms. There are two shorter (2.42 Å) and six longer (2.60 Å) Ru–Al bond lengths. In the second Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Nd and eight Al atoms. There are a spread of Ru–Al bond distances ranging from 2.57–2.70 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to three equivalent Nd and three equivalent Ru atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Nd and three Ru atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Nd and two equivalent Ru atoms. In the fourth Al site, Al is bonded to three equivalent Nd and two equivalent Ru atoms to form distorted corner-sharing AlNd3Ru2 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VRu3 by Materials Project

VRu3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. V is bonded to six equivalent V and six equivalent Ru atoms to form distorted VV6Ru6 cuboctahedra that share corners with six equivalent VV6Ru6 cuboctahedra, corners with twelve equivalent RuRu12 cuboctahedra, edges with six equivalent VV6Ru6 cuboctahedra, edges with twelve equivalent RuV3Ru9 cuboctahedra, faces with six equivalent VV6Ru6 cuboctahedra, and faces with fourteen RuRu12 cuboctahedra. All V–V bond lengths are 2.73 Å. All V–Ru bond lengths are 2.67 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to twelve Ru atoms to form RuRu12 cuboctahedra that share corners with six equivalent RuRu12 cuboctahedra, corners with twelve equivalent VV6Ru6 cuboctahedra, edges with eighteen RuRu12 cuboctahedra, faces with two equivalent VV6Ru6 cuboctahedra, and faces with eighteen RuRu12 cuboctahedra. There are six shorter (2.68 Å) and six longer (2.73 Å) Ru–Ru bond lengths. In the second Ru site, Ru is bonded to three equivalent V and nine Ru atoms to form distorted RuV3Ru9 cuboctahedra that share corners with eighteen equivalent RuV3Ru9 cuboctahedra, edges with six equivalent VV6Ru6 cuboctahedra, edges with twelve RuRu12 cuboctahedra, faces with six equivalent VV6Ru6 cuboctahedra, and faces with fourteen RuRu12 cuboctahedra. All Ru–Ru bond lengths are 2.73 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta3Ru2 by Materials Project

Ta3Ru2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are four inequivalent Ta sites. In the first Ta site, Ta is bonded in a 8-coordinate geometry to four equivalent Ta and four equivalent Ru atoms. All Ta–Ta bond lengths are 2.81 Å. All Ta–Ru bond lengths are 2.82 Å. In the second Ta site, Ta is bonded in a body-centered cubic geometry to eight Ru atoms. There are four shorter (2.74 Å) and four longer (2.75 Å) Ta–Ru bond lengths. In the third Ta site, Ta is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ta–Ru bond lengths are 2.77 Å. In the fourth Ta site, Ta is bonded in a 8-coordinate geometry to twelve Ta and two equivalent Ru atoms. All Ta–Ta bond lengths are 3.22 Å. Both Ta–Ru bond lengths are 3.31 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a body-centered cubic geometry to nine Ta atoms. In the second Ru site, Ru is bonded in a body-centered cubic geometry to eight Ta atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba5GaRu2O11 by Materials Project

Ba5Ru2GaO11 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are five inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.74–3.08 Å. In the second Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.77–2.97 Å. In the third Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.52–3.21 Å. In the fourth Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.58–3.21 Å. In the fifth Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.79–3.15 Å. There are two inequivalent Ru+4.50+ sites. In the first Ru+4.50+ site, Ru+4.50+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with two equivalent GaO4 tetrahedra and a faceface with one RuO6 octahedra. There are a spread of Ru–O bond distances ranging from 1.91–2.08 Å. In the second Ru+4.50+ site, Ru+4.50+ is bonded to six O2- atoms to form face-sharing RuO6 octahedra. There are a spread of Ru–O bond distances ranging from 1.92–2.10 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with two equivalent RuO6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are a spread of Ga–O bond distances ranging from 1.83–1.87 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five Ba2+ and one Ru+4.50+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four Ba2+ and one Ga3+ atom. In the third O2- site, O2- is bonded to four Ba2+ and one Ru+4.50+ atom to form distorted OBa4Ru square pyramids that share a cornercorner with one OBa4Ru2 octahedra, corners with two equivalent OBa4Ru square pyramids, and edges with two equivalent OBa4Ga square pyramids. The corner-sharing octahedral tilt angles are 5°. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to four Ba2+, one Ru+4.50+, and one Ga3+ atom. In the fifth O2- site, O2- is bonded to four Ba2+ and one Ga3+ atom to form distorted OBa4Ga square pyramids that share a cornercorner with one OBa4Ru2 octahedra, corners with two equivalent OBa4Ga square pyramids, and edges with two equivalent OBa4Ru square pyramids. The corner-sharing octahedral tilt angles are 38°. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to five Ba2+ and one Ru+4.50+ atom. In the seventh O2- site, O2- is bonded to four Ba2+ and two Ru+4.50+ atoms to form distorted OBa4Ru2 octahedra that share corners with two equivalent OBa4Ru2 octahedra, corners with two OBa4Ru square pyramids, and edges with two equivalent OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles are 5°. In the eighth O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+ and two Ru+4.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Structural Diversity and Magnetic Properties of Hybrid Ruthenium Halide Perovskites and Related Compounds

Abstract There has been a great deal of recent interest in extended compounds containing Ru 3+ and Ru 4+ in light of their range of unusual physical properties. Many of these properties are displayed in compounds with the perovskite and related structures. Here we report an array of structurally diverse hybrid ruthenium halide perovskites and related compounds: MA 2 Ru X 6 ( X =Cl or Br), MA 2 M RuX 6 ( M =Na, K or Ag; X =Cl or Br) and MA 3 Ru 2 X 9 ( X =Br) based upon the use of methylammonium (MA=CH 3 NH 3 + ) on the perovskite A site. The compounds MA 2 Ru X 6 with Ru 4+ crystallize in the trigonal space group and can be described as vacancy‐ordered double‐perovskites. The ordered compounds MA 2 M Ru X 6 with M + and Ru 3+ crystallize in a structure related to BaNiO 3 with alternating MX 6 and Ru X 6 face‐shared octahedra forming linear chains in the trigonal space group. The compound MA 3 Ru 2 Br 9 crystallizes in the orthorhombic Cmcm space group and displays pairs of face‐sharing octahedra forming isolated Ru 2 Br 9 moieties with very short Ru–Ru contacts of 2.789 Å. The structural details, including the role of hydrogen bonding and dimensionality, as well as the optical and magnetic properties of these compounds are described. The magnetic behavior of all three classes of compounds is influenced by spin–orbit coupling and their temperature‐dependent behavior has been compared with the predictions of the appropriate Kotani models.

Vishnoi, Pratap↗
DOE OSTI2022

Ultrathin Ruthenium Films on Graphene Buffered SiO 2 via Quasi Van der Waals Epitaxy

In this study, we demonstrate a quasi van der Waals epitaxy approach to prepare single crystalline Ru ultrathin film on large scale, monolayer graphene. Physical and epitaxial properties of bulk, near surface and surface of ultrathin Ru films were comprehensively studied using various structural, morphological, compositional, and electrical characterization techniques. Here, we confirm that Ru can epitaxially grow on single, monolayer graphene using magnetron sputtering at elevated temperature of 600 °C. The epitaxial Ru films with film thickness ranging from 94.2 nm down to 3.9 nm show the (0001) out-of-plane orientation. The epitaxial relationships between Ru and graphene are out-of-plane Ru(0001) || graphene(0001) and in-plane Ru[$11\bar20$] || graphene[$11\bar20$]. All the Ru films show smooth surfaces with root-mean-square roughness less than 0.8 nm and have negligible oxide layer on the surfaces. The Ru films on graphene demonstrate significantly reduced electrical resistivity comparing to their counterpart grown on bare SiO 2 , which show polycrystalline nature. For 7.1 to 3.9 nm film thicknesses, the resistivity of Ru on graphene shows 38 to 45% resistivity decrease from that of Ru film on bare SiO 2 without graphene. Our observations suggest the existence of the above-classical van der Waals interaction between Ru and graphene. On the other hand, graphene is capable of effectively blocking the inter-diffusion/interaction between Ru and SiO 2 during a 1000 °C annealing process.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La8Ru4O21 by Materials Project

La8Ru4O21 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.80 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.47–2.88 Å. In the third La3+ site, La3+ is bonded in a 6-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.94 Å. There are two inequivalent Ru+4.50+ sites. In the first Ru+4.50+ site, Ru+4.50+ is bonded to six O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of Ru–O bond distances ranging from 1.95–2.06 Å. In the second Ru+4.50+ site, Ru+4.50+ is bonded to six O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 40°. There is three shorter (1.98 Å) and three longer (2.01 Å) Ru–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to three La3+ and one Ru+4.50+ atom to form a mixture of distorted edge and corner-sharing OLa3Ru tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four La3+ and one Ru+4.50+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to four La3+ and one Ru+4.50+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent La3+ and two Ru+4.50+ atoms. In the fifth O2- site, O2- is bonded to three La3+ and one Ru+4.50+ atom to form a mixture of distorted edge and corner-sharing OLa3Ru tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2Ge5Ru3 by Materials Project

Y2Ru3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Y is bonded in a 1-coordinate geometry to six Ru and ten Ge atoms. There are a spread of Y–Ru bond distances ranging from 3.20–3.49 Å. There are a spread of Y–Ge bond distances ranging from 2.98–3.47 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 6-coordinate geometry to four equivalent Y and six Ge atoms. There are four shorter (2.52 Å) and two longer (2.60 Å) Ru–Ge bond lengths. In the second Ru site, Ru is bonded in a 9-coordinate geometry to four equivalent Y and five Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.42–2.52 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 11-coordinate geometry to four equivalent Y, three Ru, and four Ge atoms. There are two shorter (2.72 Å) and two longer (2.90 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 6-coordinate geometry to four equivalent Y, three Ru, and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 10-coordinate geometry to four equivalent Y and four equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2Ge5Ru3 by Materials Project

La2Ru3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. La is bonded in a 1-coordinate geometry to six Ru and ten Ge atoms. There are a spread of La–Ru bond distances ranging from 3.27–3.53 Å. There are a spread of La–Ge bond distances ranging from 3.04–3.49 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 6-coordinate geometry to four equivalent La and six Ge atoms. There are four shorter (2.54 Å) and two longer (2.67 Å) Ru–Ge bond lengths. In the second Ru site, Ru is bonded in a 9-coordinate geometry to four equivalent La and five Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.48–2.54 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to four equivalent La, three Ru, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.71 Å. In the second Ge site, Ge is bonded in a 11-coordinate geometry to four equivalent La, three Ru, and four Ge atoms. Both Ge–Ge bond lengths are 2.98 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2Ga10Ru3 by Materials Project

Yb2Ru3Ga10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Yb is bonded in a 10-coordinate geometry to four Ru and ten Ga atoms. There are two shorter (3.19 Å) and two longer (3.27 Å) Yb–Ru bond lengths. There are a spread of Yb–Ga bond distances ranging from 2.95–3.03 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to two equivalent Yb and ten Ga atoms to form distorted RuYb2Ga10 cuboctahedra that share corners with two equivalent RuYb2Ga10 cuboctahedra, edges with five equivalent RuYb2Ga10 cuboctahedra, and faces with four equivalent RuYb4Ga8 cuboctahedra. There are a spread of Ru–Ga bond distances ranging from 2.65–2.72 Å. In the second Ru site, Ru is bonded to four equivalent Yb and eight Ga atoms to form distorted RuYb4Ga8 cuboctahedra that share corners with four equivalent RuYb4Ga8 cuboctahedra and faces with eight equivalent RuYb2Ga10 cuboctahedra. All Ru–Ga bond lengths are 2.68 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Yb, three Ru, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.65–2.94 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Yb, three Ru, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.65–2.72 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to two equivalent Yb, two equivalent Ru, and five Ga atoms. The Ga–Ga bond length is 2.75 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn3Ru2 by Materials Project

Ru2Sn3 crystallizes in the tetragonal P-4c2 space group. The structure is three-dimensional. there are three inequivalent Ru sites. In the first Ru site, Ru is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Ru–Sn bond distances ranging from 2.62–2.80 Å. In the second Ru site, Ru is bonded in a 8-coordinate geometry to eight Sn atoms. There are four shorter (2.69 Å) and four longer (2.96 Å) Ru–Sn bond lengths. In the third Ru site, Ru is bonded in a 6-coordinate geometry to six Sn atoms. There are four shorter (2.60 Å) and two longer (2.84 Å) Ru–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four Ru atoms. In the second Sn site, Sn is bonded in a 5-coordinate geometry to five Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ge3Ru2 by Materials Project

Ru2Ge3 crystallizes in the tetragonal P-4c2 space group. The structure is three-dimensional. there are three inequivalent Ru sites. In the first Ru site, Ru is bonded in a 6-coordinate geometry to six Ge atoms. There are four shorter (2.41 Å) and two longer (2.66 Å) Ru–Ge bond lengths. In the second Ru site, Ru is bonded in a 8-coordinate geometry to eight Ge atoms. There are four shorter (2.51 Å) and four longer (2.74 Å) Ru–Ge bond lengths. In the third Ru site, Ru is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.44–2.61 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to five Ru atoms. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four Ru atoms.

36 MATERIALS SCIENCE↗