Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Rh”

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 325 records · Page 18

Materials Data on U3Al3CoRh2 by Materials Project

U3Rh2CoAl3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent U sites. In the first U site, U is bonded in a 5-coordinate geometry to three Rh and two equivalent Co atoms. There are one shorter (2.90 Å) and two longer (2.95 Å) U–Rh bond lengths. Both U–Co bond lengths are 2.81 Å. In the second U site, U is bonded in a 5-coordinate geometry to three Rh and two equivalent Co atoms. There are one shorter (2.90 Å) and two longer (2.95 Å) U–Rh bond lengths. Both U–Co bond lengths are 2.81 Å. In the third U site, U is bonded in a 5-coordinate geometry to three Rh and two equivalent Co atoms. There are one shorter (2.91 Å) and two longer (2.95 Å) U–Rh bond lengths. Both U–Co bond lengths are 2.81 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to six U and three Al atoms. All Rh–Al bond lengths are 2.65 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to three U and six Al atoms. All Rh–Al bond lengths are 2.61 Å. Co is bonded in a 9-coordinate geometry to six U and three Al atoms. All Co–Al bond lengths are 2.62 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to three Rh and one Co atom. In the second Al site, Al is bonded in a 4-coordinate geometry to three Rh and one Co atom. In the third Al site, Al is bonded in a 4-coordinate geometry to three Rh and one Co atom.

36 MATERIALS SCIENCE↗

Materials Data on Si2Bi2Rh3 by Materials Project

Rh3Si2Bi2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Si and four Bi atoms. Both Rh–Si bond lengths are 2.40 Å. There are two shorter (2.83 Å) and two longer (2.85 Å) Rh–Bi bond lengths. In the second Rh site, Rh is bonded in a 2-coordinate geometry to two equivalent Si and four Bi atoms. Both Rh–Si bond lengths are 2.39 Å. There are a spread of Rh–Bi bond distances ranging from 2.88–3.03 Å. In the third Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Si and four Bi atoms. Both Rh–Si bond lengths are 2.44 Å. There are two shorter (2.88 Å) and two longer (2.91 Å) Rh–Bi bond lengths. Si is bonded in a 5-coordinate geometry to three Rh and one Bi atom. The Si–Bi bond length is 3.19 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to six Rh atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to six Rh and two equivalent Si atoms.

36 MATERIALS SCIENCE↗

Materials Data on Si13Rh20 by Materials Project

Rh20Si13 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are four inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to six equivalent Si atoms. All Rh–Si bond lengths are 2.55 Å. In the second Rh site, Rh is bonded to four Si atoms to form a mixture of distorted edge and corner-sharing RhSi4 tetrahedra. There are a spread of Rh–Si bond distances ranging from 2.41–2.48 Å. In the third Rh site, Rh is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.43–2.53 Å. In the fourth Rh site, Rh is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.43–2.52 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to seven Rh atoms. In the second Si site, Si is bonded in a 6-coordinate geometry to six equivalent Rh atoms. In the third Si site, Si is bonded in a 8-coordinate geometry to eight Rh atoms.

36 MATERIALS SCIENCE↗

Visible Light Photolysis at Single Atom Sites in Semiconductor Perovskite Oxides

Designing catalysts with well-defined active sites with chemical functionality responsive to visible light has significant potential for overcoming scaling relations limiting chemical reactions over heterogeneous catalyst surfaces. Visible light can be leveraged to facilitate the removal of strongly bound species from well-defined single cationic sites (Rh) under mild conditions (323 K) when they are incorporated within a photoactive perovskite oxide (Rh-doped SrTiO 3 ). CO, a key intermediate in many chemistries, forms stable geminal dicarbonyl Rh complexes (Rh + (CO) 2 ), that could act as site blockers or poisons during a catalytic cycle. For the first time, we demonstrate that CO removal can occur at mild temperatures (323 K) under low-energy red light (635 nm) irradiation, which is not possible for supported isolated-site Rh catalysts (0.2 wt % Rh/γ-Al 2 O 3 ). Photolysis of supported Rh + (CO) 2 complexes (e.g., 0.2 wt % Rh/γ-Al 2 O 3 ) has been demonstrated but is limited to high energy UV photons. Rigorous kinetic experiments elucidate disparate mechanisms for CO photodepletion from Rh-doped SrTiO 3 and supported isolated site Rh/γ-Al 2 O 3 . CO photodepletion from supported isolated site Rh/γ-Al 2 O 3 involves a direct metal to ligand charge transfer mechanism, whereas Rh-doped SrTiO 3 is governed by electron–hole pair formation in the perovskite. In this work, we show that under visible, low-energy red light, surface Rh species in Rh-doped SrTiO 3 introduce midgap energy states above the valence band that facilitate electronic excitations leading to surface CO removal. Isolated Rh sites in Rh-doped SrTiO 3 also exhibit exceptional stability under multiple CO photodepletion cycles. Overall, incorporating single sites into photoactive perovskite oxides is an effective strategy to influence surface chemistries with visible light.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Materials Data on MnGeRh by Materials Project

MnRhGe crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 11-coordinate geometry to six Rh and five Ge atoms. There are a spread of Mn–Rh bond distances ranging from 2.77–2.85 Å. There are a spread of Mn–Ge bond distances ranging from 2.65–2.84 Å. In the second Mn site, Mn is bonded in a 5-coordinate geometry to four Rh and five Ge atoms. There are two shorter (2.84 Å) and two longer (3.05 Å) Mn–Rh bond lengths. There are a spread of Mn–Ge bond distances ranging from 2.61–2.69 Å. In the third Mn site, Mn is bonded in a 11-coordinate geometry to six Rh and five Ge atoms. There are a spread of Mn–Rh bond distances ranging from 2.84–3.05 Å. There are a spread of Mn–Ge bond distances ranging from 2.64–2.71 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 10-coordinate geometry to six Mn and four Ge atoms. There are two shorter (2.49 Å) and two longer (2.50 Å) Rh–Ge bond lengths. In the second Rh site, Rh is bonded in a 8-coordinate geometry to five Mn and four Ge atoms. There are three shorter (2.48 Å) and one longer (2.50 Å) Rh–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Mn and six Rh atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Mn and three Rh atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ga5Rh3 by Materials Project

Rh3Ga5 is Magnesium tetraboride-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.46–2.80 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.51–2.69 Å. In the third Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.48–2.75 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to four Rh atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to four Rh atoms. In the third Ga site, Ga is bonded in a 5-coordinate geometry to five Rh atoms. In the fourth Ga site, Ga is bonded in a 6-coordinate geometry to six Rh atoms. In the fifth Ga site, Ga is bonded in a 5-coordinate geometry to five Rh atoms.

36 MATERIALS SCIENCE↗

Materials Data on NiAs2Rh3 by Materials Project

Rh3NiAs2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 3-coordinate geometry to five As atoms. There are a spread of Rh–As bond distances ranging from 2.47–2.91 Å. In the second Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Ni and four As atoms. There are one shorter (2.92 Å) and one longer (2.98 Å) Rh–Ni bond lengths. There are a spread of Rh–As bond distances ranging from 2.46–2.49 Å. In the third Rh site, Rh is bonded in a 12-coordinate geometry to four equivalent Ni and four As atoms. There are two shorter (2.78 Å) and two longer (2.89 Å) Rh–Ni bond lengths. There are a spread of Rh–As bond distances ranging from 2.37–2.52 Å. Ni is bonded in a 3-coordinate geometry to six Rh and five As atoms. There are a spread of Ni–As bond distances ranging from 2.43–2.86 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to eight Rh and one Ni atom. In the second As site, As is bonded in a 9-coordinate geometry to five Rh and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗

Materials Data on Pr2CuSi3Rh2 by Materials Project

Pr2Rh2CuSi3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 10-coordinate geometry to four Rh and ten Si atoms. There are two shorter (3.17 Å) and two longer (3.21 Å) Pr–Rh bond lengths. There are a spread of Pr–Si bond distances ranging from 3.17–3.24 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to four Rh, four equivalent Cu, and six Si atoms. There are two shorter (3.29 Å) and two longer (3.34 Å) Pr–Rh bond lengths. All Pr–Cu bond lengths are 3.14 Å. There are four shorter (3.20 Å) and two longer (3.24 Å) Pr–Si bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 4-coordinate geometry to four Pr, two equivalent Cu, and two equivalent Si atoms. Both Rh–Cu bond lengths are 2.60 Å. Both Rh–Si bond lengths are 2.32 Å. In the second Rh site, Rh is bonded in a 4-coordinate geometry to four Pr, two equivalent Cu, and two equivalent Si atoms. Both Rh–Cu bond lengths are 2.56 Å. Both Rh–Si bond lengths are 2.37 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Pr, four Rh, and one Si atom. The Cu–Si bond length is 2.28 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 4-coordinate geometry to four equivalent Pr, four Rh, and one Si atom. The Si–Si bond length is 2.50 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six Pr, one Cu, and two equivalent Si atoms. Both Si–Si bond lengths are 2.40 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to six Pr and three Si atoms.

36 MATERIALS SCIENCE↗

Materials Data on TiGeRh by Materials Project

TiRhGe crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a 5-coordinate geometry to two equivalent Rh and five Ge atoms. Both Ti–Rh bond lengths are 2.87 Å. There are two shorter (2.67 Å) and three longer (2.68 Å) Ti–Ge bond lengths. In the second Ti site, Ti is bonded in a 9-coordinate geometry to four Rh and five Ge atoms. There are two shorter (2.81 Å) and two longer (2.86 Å) Ti–Rh bond lengths. There are a spread of Ti–Ge bond distances ranging from 2.67–2.80 Å. In the third Ti site, Ti is bonded in a 11-coordinate geometry to six Rh and five Ge atoms. There are a spread of Ti–Rh bond distances ranging from 2.77–2.90 Å. There are a spread of Ti–Ge bond distances ranging from 2.69–2.96 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four Ti and four Ge atoms. There are two shorter (2.52 Å) and two longer (2.53 Å) Rh–Ge bond lengths. In the second Rh site, Rh is bonded in a 8-coordinate geometry to four Ti and four Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.51–2.53 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to three Ti and six Rh atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Ti and three Rh atoms.

36 MATERIALS SCIENCE↗

Materials Data on Sr4FeRh2O9 by Materials Project

Sr4FeRh2O9 crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–3.10 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.41–2.91 Å. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–2.73 Å. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six O2- atoms to form distorted FeO6 pentagonal pyramids that share faces with two RhO6 octahedra. There are three shorter (2.07 Å) and three longer (2.13 Å) Fe–O bond lengths. In the second Fe3+ site, Fe3+ is bonded to six equivalent O2- atoms to form distorted FeO6 pentagonal pyramids that share faces with two equivalent RhO6 octahedra. All Fe–O bond lengths are 2.10 Å. There are three inequivalent Rh+3.50+ sites. In the first Rh+3.50+ site, Rh+3.50+ is bonded to six O2- atoms to form RhO6 octahedra that share a faceface with one RhO6 octahedra and a faceface with one FeO6 pentagonal pyramid. There are three shorter (2.00 Å) and three longer (2.11 Å) Rh–O bond lengths. In the second Rh+3.50+ site, Rh+3.50+ is bonded to six O2- atoms to form RhO6 octahedra that share a faceface with one RhO6 octahedra and a faceface with one FeO6 pentagonal pyramid. There are three shorter (2.03 Å) and three longer (2.07 Å) Rh–O bond lengths. In the third Rh+3.50+ site, Rh+3.50+ is bonded to six O2- atoms to form RhO6 octahedra that share a faceface with one RhO6 octahedra and a faceface with one FeO6 pentagonal pyramid. There are three shorter (2.03 Å) and three longer (2.09 Å) Rh–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+, one Fe3+, and one Rh+3.50+ atom. In the second O2- site, O2- is bonded to four Sr2+, one Fe3+, and one Rh+3.50+ atom to form distorted OSr4FeRh octahedra that share corners with eight OSr4FeRh octahedra, an edgeedge with one OSr4Rh2 octahedra, and faces with five OSr4FeRh octahedra. The corner-sharing octahedra tilt angles range from 1–68°. In the third O2- site, O2- is bonded to four Sr2+ and two Rh+3.50+ atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Rh2 octahedra. The corner-sharing octahedra tilt angles range from 1–68°. In the fourth O2- site, O2- is bonded to four Sr2+ and two equivalent Rh+3.50+ atoms to form distorted OSr4Rh2 octahedra that share corners with eight OSr4FeRh octahedra, edges with two equivalent OSr4Rh2 octahedra, and faces with two equivalent OSr4Rh2 octahedra. The corner-sharing octahedra tilt angles range from 27–58°. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+, one Fe3+, and one Rh+3.50+ atom.

36 MATERIALS SCIENCE↗

Influence of Proton Activity Gaps between Electrodes on Open-Circuit Potential of H 2 /H 2 and H 2 /Air Cells

Polymer -electrolyte-fuel-cell open-circuit voltages (OCVs) are exactly defined by equation (1), where cathode and anode proton activities [(aH+)cathode and (aH+)anode, respectively] usually are identical, so the third term in the right-hand side of equation (2) is ignored. OCV=E0+RT/2F*ln(a1/2 O2*(a2 H+)cathode/aH2O)-RT/2F*ln((a2 H+)anode/aH2) (1) =E0+RT/2F*ln(a1/2 O2*aH2/aH2O)+RT/2F*ln((a2 H+)cathode/(a2 H+)anode) (2) Water vapor pressure is a colligative property that fundamentally correlates to electrolyte concentrations in aqueous solutions. Proton activity is a function of acid concentration, such as pH, when electrolytes are acids. In polymer-electrolyte membranes, water vapor pressure and acid concentration are understood as relative humidity (RH) and water uptake (λ), respectively, where λ represents number of water molecules per sulfonic acid molecule. Several investigations have reported the relationship between RH and λ, meaning that proton activities and associated water uptakes are intimately related to RH. In actual fuel cell operation, cathode RH is determined by ambient-atmosphere and/or humidifier RH(s), and anode RH depends on hydrogen-circulator RH. Therefore, RH is not always identical at both electrodes, and the difference between electrode RHs is considerable during dry operation of polymer electrolyte fuel cells. Therefore, the third term in the right-hand side of equation (2) may be significant for dry operation. We measured OCVs when hydrogen was supplied to both electrodes at 80°C. One electrode (A) was fixed at 30% RH, while RH at the other electrode (B) was varied (0, 5, 10, 20, and 30%). Measured OCVs varied from 0 to 75 mV. For fuel cell tests, electrode A was supplied with hydrogen at 30% RH; electrode B, oxygen at 0, 5, 10, 20, and 30% RH. OCVs deviated from that measured when RH at electrode B was 30%, increasing from 0 to 60 mV with decreasing RH at electrode B. Results are also shown in Figure 1. Proton activities of both electrodes were thermodynamically calculated. The Gibbs–Duhem relation was applied to obtain molar Gibbs free energies of water and sulfonic acid, and proton activity coefficient was calculated using the Gibbs free energy of sulfonic acid and the relationship between RH and λ1–4, assuming that protons and sulfonic anions show identical ionic-activity coefficients. OCVs were estimated using the third term in the right-hand side of equation (2). Results are shown in Figure 1. Fuel-cell current–voltage performance was poor when RHs at the anode and cathode were 30 and 20%, respectively. To determine kinetic current, we measured the oxygen-reduction reaction (ORR) using a rotating-disk electrode (RDE) in concentrated-acid aqueous solutions, which modeled catalyst-layer ionomers. Kinetic currents decreased with acid concentrations. References T. A. Zawodzinski, Jr., C. Derouin, S. Radzinski, R. J. Sherman, V. T. Smith, T. E. Springer and S. Gottesfeld , J. Electrochem. Soc., 140,1041 (1993) P. K. Das and A. Z. Weber, Proceedings of the ASME 2013 11th Fuel Cell Science, Engineering and Technology Conference, Fuel Cell 18010 (2013) V. A. Sethuraman, J. W. Weidner, A. T. Haug, S. Motupally,b and L. V. Protsailo, J. Electrochem. Soc., 155, B50 (2008) A. Kusoglu and A. Z. Weber, Chem. Rev., 117, 987 (2017) Figure 1

Yoshida, Toshihiko↗

Materials Data on Ba(RhPb2)3 by Materials Project

Ba(RhPb2)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight Pb atoms. There are four shorter (3.61 Å) and four longer (3.64 Å) Ba–Pb bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 10-coordinate geometry to three equivalent Rh and seven Pb atoms. There are two shorter (3.09 Å) and one longer (3.18 Å) Rh–Rh bond lengths. There are a spread of Rh–Pb bond distances ranging from 2.77–3.05 Å. In the second Rh site, Rh is bonded in a 7-coordinate geometry to seven Pb atoms. There are a spread of Rh–Pb bond distances ranging from 2.69–2.87 Å. There are four inequivalent Pb sites. In the first Pb site, Pb is bonded in a 5-coordinate geometry to two equivalent Ba and three equivalent Rh atoms. In the second Pb site, Pb is bonded in a 4-coordinate geometry to two equivalent Ba and three equivalent Rh atoms. In the third Pb site, Pb is bonded in a 6-coordinate geometry to six equivalent Rh atoms. In the fourth Pb site, Pb is bonded in a 3-coordinate geometry to three Rh atoms.

36 MATERIALS SCIENCE↗

Materials Data on Si4Rh3 by Materials Project

Rh3Si4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Rh–Si bond distances ranging from 2.33–2.48 Å. In the second Rh site, Rh is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Rh–Si bond distances ranging from 2.33–2.62 Å. In the third Rh site, Rh is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Rh–Si bond distances ranging from 2.41–2.62 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 6-coordinate geometry to six Rh atoms. In the second Si site, Si is bonded in a 4-coordinate geometry to four Rh atoms. In the third Si site, Si is bonded in a 6-coordinate geometry to six Rh atoms. In the fourth Si site, Si is bonded to four Rh atoms to form a mixture of distorted corner and edge-sharing SiRh4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on LaNi2Rh3 by Materials Project

LaRh3Ni2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to twelve Rh and six equivalent Ni atoms. There are eight shorter (3.34 Å) and four longer (3.35 Å) La–Rh bond lengths. There are a spread of La–Ni bond distances ranging from 3.06–3.08 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to four equivalent La, four equivalent Rh, and four equivalent Ni atoms to form a mixture of distorted corner, edge, and face-sharing RhLa4Ni4Rh4 cuboctahedra. There are two shorter (2.65 Å) and two longer (2.66 Å) Rh–Rh bond lengths. All Rh–Ni bond lengths are 2.55 Å. In the second Rh site, Rh is bonded to four equivalent La, two equivalent Rh, and four equivalent Ni atoms to form a mixture of distorted corner, edge, and face-sharing RhLa4Ni4Rh2 cuboctahedra. There are two shorter (2.54 Å) and two longer (2.55 Å) Rh–Ni bond lengths. Ni is bonded in a 9-coordinate geometry to three equivalent La and six Rh atoms.

36 MATERIALS SCIENCE↗

Materials Data on LaPRh by Materials Project

LaRhP is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. La is bonded to six Rh and six equivalent P atoms to form a mixture of edge and face-sharing LaP6Rh6 cuboctahedra. There are two shorter (3.16 Å) and four longer (3.18 Å) La–Rh bond lengths. There are four shorter (3.15 Å) and two longer (3.22 Å) La–P bond lengths. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent La and three equivalent P atoms. All Rh–P bond lengths are 2.40 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent La and three equivalent P atoms. All Rh–P bond lengths are 2.40 Å. In the third Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent La and three equivalent P atoms. There are two shorter (3.16 Å) and four longer (3.18 Å) Rh–La bond lengths. All Rh–P bond lengths are 2.40 Å. P is bonded in a 9-coordinate geometry to six equivalent La and three Rh atoms.

36 MATERIALS SCIENCE↗

Materials Data on ErSiRh2 by Materials Project

ErRh2Si crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 9-coordinate geometry to one Er and nine equivalent Rh atoms. The Er–Er bond length is 3.19 Å. There are three shorter (2.98 Å) and six longer (3.10 Å) Er–Rh bond lengths. In the second Er site, Er is bonded in a 9-coordinate geometry to one Er and nine equivalent Rh atoms. The Er–Er bond length is 3.19 Å. There are three shorter (2.98 Å) and six longer (3.10 Å) Er–Rh bond lengths. In the third Er site, Er is bonded in a 6-coordinate geometry to two Er, twelve equivalent Rh, and six Si atoms. All Er–Rh bond lengths are 3.31 Å. All Er–Si bond lengths are 3.21 Å. Rh is bonded in a 12-coordinate geometry to five Er, four equivalent Rh, and three Si atoms. There are two shorter (2.77 Å) and two longer (2.78 Å) Rh–Rh bond lengths. There are two shorter (2.41 Å) and one longer (2.53 Å) Rh–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Rh atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Rh atoms. In the third Si site, Si is bonded in a distorted cuboctahedral geometry to six equivalent Rh atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ga21Rh4 by Materials Project

Rh4Ga21 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two Rh4Ga21 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.45–2.73 Å. In the second Rh site, Rh is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.48–2.78 Å. There are seven inequivalent Ga sites. In the first Ga site, Ga is bonded in a linear geometry to two equivalent Rh and eight equivalent Ga atoms. There are four shorter (2.86 Å) and four longer (2.87 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a linear geometry to two Rh and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.83–2.88 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Rh and three equivalent Ga atoms. There are one shorter (2.75 Å) and two longer (2.89 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a distorted single-bond geometry to one Rh atom. In the fifth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Rh and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.75–2.87 Å. In the sixth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Rh and seven Ga atoms. There are one shorter (2.72 Å) and one longer (2.76 Å) Ga–Ga bond lengths. In the seventh Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Rh and seven Ga atoms. The Ga–Ga bond length is 2.70 Å.

36 MATERIALS SCIENCE↗

Materials Data on La2Ge4IrRh3 by Materials Project

La2IrRh3Ge4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to two equivalent Ir, six Rh, and eight Ge atoms. Both La–Ir bond lengths are 3.40 Å. All La–Rh bond lengths are 3.40 Å. There are four shorter (3.27 Å) and four longer (3.28 Å) La–Ge bond lengths. Ir is bonded to four equivalent La and four equivalent Ge atoms to form distorted IrLa4Ge4 tetrahedra that share corners with twelve RhLa4Ge4 tetrahedra, edges with two equivalent RhLa4Ge4 tetrahedra, edges with four equivalent IrLa4Ge4 tetrahedra, and faces with four equivalent RhLa4Ge4 tetrahedra. All Ir–Ge bond lengths are 2.49 Å. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded to four equivalent La and four equivalent Ge atoms to form distorted RhLa4Ge4 tetrahedra that share corners with four equivalent RhLa4Ge4 tetrahedra, corners with eight equivalent IrLa4Ge4 tetrahedra, edges with six RhLa4Ge4 tetrahedra, and faces with four equivalent RhLa4Ge4 tetrahedra. All Rh–Ge bond lengths are 2.49 Å. In the second Rh site, Rh is bonded to four equivalent La and four equivalent Ge atoms to form distorted RhLa4Ge4 tetrahedra that share corners with twelve RhLa4Ge4 tetrahedra, edges with six RhLa4Ge4 tetrahedra, and faces with four equivalent IrLa4Ge4 tetrahedra. All Rh–Ge bond lengths are 2.49 Å. In the third Rh site, Rh is bonded to four equivalent La and four equivalent Ge atoms to form distorted RhLa4Ge4 tetrahedra that share corners with four equivalent IrLa4Ge4 tetrahedra, corners with eight equivalent RhLa4Ge4 tetrahedra, edges with two equivalent IrLa4Ge4 tetrahedra, edges with four equivalent RhLa4Ge4 tetrahedra, and faces with four equivalent RhLa4Ge4 tetrahedra. All Rh–Ge bond lengths are 2.49 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent La, two equivalent Ir, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.68 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent La, four Rh, and one Ge atom.

36 MATERIALS SCIENCE↗