Influence of the external pressure on the structure and magnetic properties of Nd 0.5 Sr 0.5 CoO 3 cobaltite
Not Available
36 MATERIALS SCIENCE↗
SEARCH · Search NASA
Results for “ND”
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.
ORNL Neutron Cross Section Measurements of Zr-isotopes ----NCSP Task ND-1 + ND-3 [Slides]
Abstract not provided.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Refractive index of Nd:CaF2 and some Nd doped glasses as a function of wavelength, % neodymium, and temperature
Explore the source record for details and available documents.
Gunter, R. C., Jr.↗
The Nd and Sr isotopic systematics of river-water dissolved material - Implications for the sources of Nd and Sr in seawater
Explore the source record for details and available documents.
Goldstein, Steven J.↗
Sm-Nd Age and Nd- and Sr- Isotopic Evidence for the Petrogenesis of Dhofar 378
Dhofar 378 (hereafter Dho 378) is one of the most ferroan lithologies among martian meteorites, resembling the Los Angeles basaltic shergottite in lithology and mineral chemistry, although it is more highly shocked than Los Angeles. All plagioclase (Pl) grains in the original lithology were melted by an intense shock in the range 55-75 GPa. Clinopyroxenes (Cpx) sometimes show mosaic extinction under a microscope showing that they, too, experienced intense shock. Nevertheless, they zone from magnesian cores to ferroan rims, reflecting the original lithology. Cpx grains also often contain exsolution lamellae, showing that the original lithology cooled slowly enough for the lamellae to form. Because all plagioclase grains were melted by the intense shock and subsequently quenched, the main plagioclase component is glass (Pl-glass) rather than maskelynite. Like Los Angeles, but unlike most basaltic shergottites, Dho 378 contains approximately equal modal abundances of Cpx and Pl-glass. The grain sizes of the original minerals were comparatively large (approximately 1 mm). The original plagioclase zoning has been severely modified. Following shock melting, the plagioclase melts crystallized from the outside inward, first forming outer rims of Cpx-Pl intergrowths (approximately 10 micrometers) followed by inner rims (10's to 100 micrometers) of An(sub 40-50) feldspar, and finally Pl-gl cores of compositions An(sub 33-50) with orthoclase compositions up to Or(sub 12).
Nyquist, L. E.↗
Materials Data on Nd by Materials Project
Nd is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are seven inequivalent Nd sites. In the first Nd site, Nd is bonded to twelve Nd atoms to form a mixture of edge, face, and corner-sharing NdNd12 cuboctahedra. There are six shorter (3.66 Å) and six longer (3.71 Å) Nd–Nd bond lengths. In the second Nd site, Nd is bonded to twelve Nd atoms to form a mixture of edge, face, and corner-sharing NdNd12 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.66–3.71 Å. In the third Nd site, Nd is bonded to twelve Nd atoms to form a mixture of edge, face, and corner-sharing NdNd12 cuboctahedra. All Nd–Nd bond lengths are 3.71 Å. In the fourth Nd site, Nd is bonded to twelve Nd atoms to form a mixture of edge, face, and corner-sharing NdNd12 cuboctahedra. There are six shorter (3.66 Å) and six longer (3.71 Å) Nd–Nd bond lengths. In the fifth Nd site, Nd is bonded to twelve Nd atoms to form a mixture of edge, face, and corner-sharing NdNd12 cuboctahedra. There are three shorter (3.69 Å) and six longer (3.71 Å) Nd–Nd bond lengths. In the sixth Nd site, Nd is bonded to sixteen Nd atoms to form a mixture of edge, face, and corner-sharing NdNd16 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.71–7.42 Å. In the seventh Nd site, Nd is bonded to twelve Nd atoms to form a mixture of edge, face, and corner-sharing NdNd12 cuboctahedra. There are three shorter (3.69 Å) and six longer (3.71 Å) Nd–Nd bond lengths.
36 MATERIALS SCIENCE↗
Materials Data on Nd(MnSn)6 by Materials Project
Nd(MnSn)6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded to eight Sn atoms to form distorted edge-sharing NdSn8 hexagonal bipyramids. There are a spread of Nd–Sn bond distances ranging from 3.04–3.21 Å. In the second Nd site, Nd is bonded to eight Sn atoms to form distorted edge-sharing NdSn8 hexagonal bipyramids. There are a spread of Nd–Sn bond distances ranging from 3.04–3.21 Å. In the third Nd site, Nd is bonded to eight Sn atoms to form distorted edge-sharing NdSn8 hexagonal bipyramids. There are a spread of Nd–Sn bond distances ranging from 3.03–3.21 Å. There are eighteen inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.71–2.87 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.86 Å. In the third Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.85 Å. In the fourth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.76–2.87 Å. In the fifth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.86 Å. In the sixth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.86 Å. In the seventh Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.71–2.87 Å. In the eighth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.86 Å. In the ninth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.87 Å. In the tenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.76–2.86 Å. In the eleventh Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.86 Å. In the twelfth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.87 Å. In the thirteenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.86 Å. In the fourteenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.72–2.86 Å. In the fifteenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.86 Å. In the sixteenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.72–2.86 Å. In the seventeenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.87 Å. In the eighteenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.87 Å. There are eighteen inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to one Nd, six Mn, and one Sn atom. The Sn–Sn bond length is 2.99 Å. In the second Sn site, Sn is bonded in a 12-coordinate geometry to three Nd and six Mn atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to three Nd and six Mn atoms. In the fourth Sn site, Sn is bonded in a 8-coordinate geometry to two equivalent Nd and six Mn atoms. In the fifth Sn site, Sn is bonded in a 6-coordinate geometry to six Mn atoms. In the sixth Sn site, Sn is bonded in a 6-coordinate geometry to six Mn atoms. In the seventh Sn site, Sn is bonded in a 7-coordinate geometry to one Nd and six Mn atoms. In the eighth Sn site, Sn is bonded in a 6-coordinate geometry to six Mn atoms. In the ninth Sn site, Sn is bonded in a 7-coordinate geometry to one Nd and six Mn atoms. In the tenth Sn site, Sn is bonded in a 8-coordinate geometry to one Nd, six Mn, and one Sn atom. The Sn–Sn bond length is 2.97 Å. In the eleventh Sn site, Sn is bonded in a 12-coordinate geometry to three Nd and six Mn atoms. In the twelfth Sn site, Sn is bonded in a 8-coordinate geometry to one Nd, six Mn, and one Sn atom. The Sn–Sn bond length is 2.98 Å. In the thirteenth Sn site, Sn is bonded in a 12-coordinate geometry to three Nd and six Mn atoms. In the fourteenth Sn site, Sn is bonded in a 8-coordinate geometry to one Nd, six Mn, and one Sn atom. In the fifteenth Sn site, Sn is bonded in a 8-coordinate geometry to two equivalent Nd and six Mn atoms. In the sixteenth Sn site, Sn is bonded in a 8-coordinate geometry to one Nd, six Mn, and one Sn atom. In the seventeenth Sn site, Sn is bonded in a 6-coordinate geometry to six Mn atoms. In the eighteenth Sn site, Sn is bonded in a 8-coordinate geometry to one Nd, six Mn, and one Sn atom.
36 MATERIALS SCIENCE↗
Electrochemical recovery of Nd using liquid metals (Bi and Sn) in LiCl-KCl-NdCl 3
Highly efficient recovery of Nd into liquid metals of Bi and Sn was achieved in molten LiCl-KCl-NdCl 3 electrolyte at 773–973 K by leveraging the strong interactions of Nd with liquid metals. Based on the emf measurements of Nd-Sn and Nd-Bi alloys, the activity values of Nd were determined as low as 1.1–5.8×10 –13 in both liquid metals at 973 K while the solubility of Nd was found to be 1.46 mol% in Sn and 5.65 mol% in Bi. Both liquid metals demonstrated high round-trip coulombic efficiencies (>99.3%) during deposition-removal cycles of 10–50 mA cm –2 and high recovery capacity up to approximately 20 mol% Nd beyond the solubility limit. In addition, a high Nd recovery yield (84–90%) with respect to the applied charge was confirmed based on chemical analysis of electrolysis products in Bi after constant current electrolysis (–50 mA cm –2 ) at 873–973 K. Overpotentials during the Nd deposition process were attributed to charge-transfer and mass-transport resistances based on the current-potential curve and electrochemical impedance spectroscopy. The charge-transfer kinetics of Nd deposition into liquid metals was facile with high exchange current densities at ~220 mA cm –2 . Finally, the exceptionally high recovery efficiency for Nd in the molten chloride is thought to result from strong chemical interactions (i.e., low activity) of Nd in liquid metals that encourage one-step reduction, i.e., Nd 3+ + 3e → Nd(in Bi or Sn) by effectively suppressing side reaction pathways from multivalent states (Nd 2+ and Nd 3+ ).
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Materials Data on Nd by Materials Project
Nd is alpha La structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to twelve Nd atoms to form a mixture of edge, face, and corner-sharing NdNd12 cuboctahedra. There are six shorter (3.67 Å) and six longer (3.71 Å) Nd–Nd bond lengths. In the second Nd site, Nd is bonded to twelve Nd atoms to form a mixture of edge, face, and corner-sharing NdNd12 cuboctahedra. All Nd–Nd bond lengths are 3.71 Å.
36 MATERIALS SCIENCE↗
Isotopic analysis of Nd nanoparticles using single particle MC-ICP-MS: A comparative study with single particle-ICP-TOF-MS
Single particle - inductively coupled plasma - mass spectrometry (SP-ICP-MS) is a powerful technique for characterization of the elemental and isotopic composition of individual particles. In this work, the capabilities of the newest generation of MC-ICP-MS with acquisition rates down to 50 ms were evaluated for single particle analysis, with a focus on isotopic precision achievable on a single-particle level. Nd (NdVO 4 ) nanoparticles (~120 nm in diameter) were used as case study and were first characterized in terms of mass (respective size) and particle number concentration by SP-ICP-TOF-MS and then by SP-MC-ICP-MS for isotopic precision. For the isotopic ratio measurements, the MC-ICP-MS performance was compared to the ICP-TOF-MS and it was found that the isotope ratio precision was increased (R 2 between 0.98 and 0.99) compared to ICP-TOF-MS (R 2 between 0.88 and 0.97). The accuracy attained on a single particle level, was compared to bulk digestion followed by MC-ICP-MS analysis, and the SP-MC-ICP-MS technique was able to determine the particle population average to be <4 %, percent relative differences for the 142 Nd/ 144 Nd, 143 Nd/ 144 Nd, 145 Nd/ 144 Nd, 146 Nd/ 144 Nd, and 148 Nd/ 144 Nd ratios The detection limit for the SP-MC-ICP-MS approach was also assessed. Here, when utilizing an all Faraday-cup based detection scheme the determined LOD for the measurements was 0.2fg for Nd, per particle. Based on these results, the newest generation of MC-ICP-MS has demonstrated its utility for performing SP measurement, particularly when high precision isotopic determination is warranted.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Production and radiochemistry of the in vivo PET generator 140 Nd/ 140 Pr as an imaging surrogate for F-block therapeutic radionuclides
Theranostics, a combined approach of diagnostics and therapeutics, often employs F-block therapeutic radionuclides including 225 Ac, 177 Lu, and 161 Tb. While there is a lack of F-block PET imaging radionuclides, the in vivo PET generator pair 140 Nd/ 140 Pr can act as a theranostic imaging counterpart to the F-block therapeutic radionuclides. In this study, we explored the production and separation of high purity 140 Nd via the 141 Pr(p,2n) 140 Nd reaction route. Monoisotopic 141 Pr targets irradiated with 20 MeV protons for 10 min with 10 µA beam current yielded 21.45 ± 0.82 MBq (580 ± 22 µCi) of 140 Nd. A two-step separation method was developed for the purification of 140 Nd from the 141 Pr target material. Recoveries of 27.4 ± 2.1% 140Nd were obtained upon separation with < 20 ppb of 141 Pr target material in the final product. Radiolabeling of Macropa and DOTA chelators with 140 Nd resulted in [ 140 Nd]Nd-Macropa with a molar activity of 74.0 MBq/µmol (2.0 mCi/µmol) and [ 140 Nd]Nd-DOTA with a molar activity of 70.3 MBq/µmol (1.9 mCi/µmol). An imaging study with a phantom indicated the PET spatial resolution of 140 Nd/ 140 Pr was distinguishable down to 2.4 mm. This study sets the stage for the 140 Nd/ 140 Pr in vivo PET generator to be explored in radiopharmaceutical applications.
F-block↗
Materials Data on Nd(Mg4Al3)4 by Materials Project
Nd(Mg4Al3)4 is gamma-brass-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to five Mg and six Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.06–3.40 Å. There are a spread of Mg–Al bond distances ranging from 3.07–3.13 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to seven Mg, one Nd, and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.11–3.29 Å. The Mg–Nd bond length is 3.14 Å. There are a spread of Mg–Al bond distances ranging from 2.80–3.20 Å. In the third Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one Nd, and twelve Al atoms. The Mg–Nd bond length is 3.36 Å. There are three shorter (3.17 Å) and nine longer (3.24 Å) Mg–Al bond lengths. In the fourth Mg site, Mg is bonded in a 3-coordinate geometry to seven Mg, one Nd, and five Al atoms. There are two shorter (3.17 Å) and two longer (3.18 Å) Mg–Mg bond lengths. The Mg–Nd bond length is 3.59 Å. There are a spread of Mg–Al bond distances ranging from 2.89–3.19 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. Both Mg–Mg bond lengths are 3.09 Å. There are a spread of Mg–Al bond distances ranging from 2.94–3.29 Å. Nd is bonded in a 12-coordinate geometry to seven Mg and nine Al atoms. There are six shorter (3.25 Å) and three longer (3.28 Å) Nd–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to eight Mg, one Nd, and three Al atoms. There are one shorter (2.67 Å) and two longer (2.79 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. Both Al–Al bond lengths are 2.77 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to seven Mg, one Nd, and three Al atoms. There are one shorter (2.73 Å) and one longer (2.83 Å) Al–Al bond lengths.
36 MATERIALS SCIENCE↗
Materials Data on Nd(CO3)3 by Materials Project
Nd(CO3)3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two Nd(CO3)3 clusters. Nd is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Nd–O bond distances ranging from 2.22–2.75 Å. There are three inequivalent C sites. In the first C site, C is bonded in a linear geometry to two O atoms. There is one shorter (1.17 Å) and one longer (1.18 Å) C–O bond length. In the second C site, C is bonded in a distorted bent 120 degrees geometry to two O atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the third C site, C is bonded in a linear geometry to two O atoms. There is one shorter (1.17 Å) and one longer (1.18 Å) C–O bond length. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Nd and one C atom. In the second O site, O is bonded in a single-bond geometry to one C atom. In the third O site, O is bonded in a single-bond geometry to one Nd atom. In the fourth O site, O is bonded in a 2-coordinate geometry to one Nd and one O atom. The O–O bond length is 1.35 Å. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Nd and one C atom. In the sixth O site, O is bonded in a 2-coordinate geometry to one Nd and one O atom. In the seventh O site, O is bonded in a single-bond geometry to one C atom. In the eighth O site, O is bonded in a bent 120 degrees geometry to one Nd and one C atom. In the ninth O site, O is bonded in a distorted bent 120 degrees geometry to one Nd and one C atom.
36 MATERIALS SCIENCE↗
Materials Data on Nd(BrO6)3 by Materials Project
Nd(O6Br)3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four Nd(O6Br)3 clusters. Nd is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Nd–O bond distances ranging from 2.38–3.13 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Nd and one Br atom. The O–Br bond length is 1.72 Å. In the second O site, O is bonded in a water-like geometry to one Nd and one Br atom. The O–Br bond length is 1.72 Å. In the third O site, O is bonded in a distorted water-like geometry to one Nd and one Br atom. The O–Br bond length is 1.72 Å. In the fourth O site, O is bonded in a single-bond geometry to one Br atom. The O–Br bond length is 1.65 Å. In the fifth O site, O is bonded in a single-bond geometry to one Br atom. The O–Br bond length is 1.65 Å. In the sixth O site, O is bonded in a water-like geometry to two equivalent O atoms. Both O–O bond lengths are 1.45 Å. In the seventh O site, O is bonded in a water-like geometry to two O atoms. There is one shorter (1.45 Å) and one longer (1.46 Å) O–O bond length. In the eighth O site, O is bonded in a single-bond geometry to one Nd atom. In the ninth O site, O is bonded in a single-bond geometry to one Nd atom. In the tenth O site, O is bonded in a distorted water-like geometry to one Nd and two equivalent O atoms. In the eleventh O site, O is bonded in a distorted trigonal non-coplanar geometry to one Nd and two O atoms. There are two inequivalent Br sites. In the first Br site, Br is bonded in a trigonal non-coplanar geometry to three O atoms. In the second Br site, Br is bonded in a trigonal non-coplanar geometry to three O atoms.
36 MATERIALS SCIENCE↗
High-Precision Nd Isotopes in Picrites from Hawaii and Iceland - No Evidence for an Early-Formed Enriched Reservoir
New high-precision Nd isotope measurements have shown that the present-day Nd-142/Nd-144 for average chondrites is approximately 20 ppm lower than that for the terrestrial standard and all recent mantle-derived samples measured to date. One explanation for these differences is that an enriched missing reservoir with lower Nd-142/Nd-144 resides in the mantle to balance the bulk Earth to chondritic. Data from Archean Greenland rocks show anomalies in Nd-142/Nd-144 of up to 40 ppm higher than the proposed average for chondrites. This difference between the Archean Greenland rocks and present-day mantle-derived samples has been interpreted to result from remixing of an early-formed enriched reservoir into the convecting mantle during the Archean. If so, the implication from this is that remixing of the enriched reservoir largely shut down some time in the past such that it must at present reside in a region in the mantle that infrequently participates dynamically and leading to volcanism at the surface. Several studies have suggested that the missing reservoir may be present just above the coremantle boundary (CMB). Depending on the size of this reservoir it could potentially make up all of D or exist as distinct domains within it. If such a reservoir does exist, then mantle-derived samples from plume systems that are thought to come from the CMB may be the best opportunity to identify this component using high-precision Nd isotope measurements. To test this, picrites from Hawaii with coupled enrichments in Os-186-Os-187 that has been proposed to be a signature of core-mantle interaction were measured on the JSC Triton for high-precision Nd-142/Nd-144. For comparison, picrites from Hawaii and Iceland that do not show coupled enrichments in Os-186-Os-187 were measured. We have established an external precision for Nd-142/Nd-144 of 3.6 ppm (2 sigma) during the analytical campaign. The Iceland (n=5) and Hawaiian data (n=9) have Nd-142 ranging from -0.01 plus or minus 0.03 to +0.03 plus or minus 0.03 (2 sigma) and there is no resolvable difference between samples with Os isotope enrichments versus those without. The average epsilon Nd-142 of +0.011 plus or minus 0.034 (2 sigma ) for all of the samples (n=14) is not resolvable from the Ames and La Jolla standards with epsilon Nd-142 of +0.000 plus or minus 0.036 (n=16, 2 sigma). These data confirm recent measurements on lavas for the absence of an ancient enriched Nd-142 isotopic signature in plume systems likely derived from D and indicates that such a reservoir, if existing, must now reside in areas of the deep mantle that plumes do not sample.
Brandon, A. D.↗
Materials Data on Nd(Re2Si)2 by Materials Project
Nd(Re2Si)2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Nd is bonded in a 7-coordinate geometry to ten Re and seven Si atoms. There are a spread of Nd–Re bond distances ranging from 3.32–3.48 Å. There are a spread of Nd–Si bond distances ranging from 3.10–3.20 Å. There are four inequivalent Re sites. In the first Re site, Re is bonded to two equivalent Nd, eight Re, and two equivalent Si atoms to form distorted ReNd2Re8Si2 cuboctahedra that share corners with five equivalent ReNd3Re6Si3 cuboctahedra, edges with seven ReNd2Re8Si2 cuboctahedra, and faces with five ReNd2Re8Si2 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.59–2.98 Å. Both Re–Si bond lengths are 2.55 Å. In the second Re site, Re is bonded in a 12-coordinate geometry to three equivalent Nd, six Re, and three Si atoms. There are a spread of Re–Re bond distances ranging from 2.60–2.79 Å. There are one shorter (2.50 Å) and two longer (2.58 Å) Re–Si bond lengths. In the third Re site, Re is bonded in a 12-coordinate geometry to two equivalent Nd, eight Re, and three Si atoms. There are one shorter (2.74 Å) and two longer (2.86 Å) Re–Re bond lengths. There are a spread of Re–Si bond distances ranging from 2.48–3.07 Å. In the fourth Re site, Re is bonded to three equivalent Nd, six Re, and three equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing ReNd3Re6Si3 cuboctahedra. There are one shorter (2.45 Å) and two longer (2.57 Å) Re–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Nd, five Re, and one Si atom. The Si–Si bond length is 2.65 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to three equivalent Nd and six Re atoms.
36 MATERIALS SCIENCE↗
Materials Data on Nd(In2Au)2 by Materials Project
Nd(AuIn2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to four Au and ten In atoms. There are two shorter (3.47 Å) and two longer (3.54 Å) Nd–Au bond lengths. There are a spread of Nd–In bond distances ranging from 3.33–3.76 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 7-coordinate geometry to two equivalent Nd and seven In atoms. There are a spread of Au–In bond distances ranging from 2.86–2.90 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to two equivalent Nd and seven In atoms. There are a spread of Au–In bond distances ranging from 2.83–3.04 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three equivalent Nd and three equivalent Au atoms. In the second In site, In is bonded to one Nd and four Au atoms to form a mixture of distorted edge and corner-sharing InNdAu4 tetrahedra. In the third In site, In is bonded in a 4-coordinate geometry to three equivalent Nd and four Au atoms. In the fourth In site, In is bonded in a 3-coordinate geometry to three equivalent Nd and three equivalent Au atoms.
36 MATERIALS SCIENCE↗
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↗