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NaIn is Zintl Phase structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of two NaIn frameworks. Na is bonded to four equivalent In atoms to form distorted corner-sharing NaIn4 tetrahedra. All Na–In bond lengths are 3.23 Å. In is bonded to four equivalent Na atoms to form distorted corner-sharing InNa4 tetrahedra.
NaIn(IO3)4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two NaIn(IO3)4 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share edges with two equivalent InO6 octahedra. There are a spread of Na–O bond distances ranging from 2.31–2.51 Å. In3+ is bonded to six O2- atoms to form InO6 octahedra that share edges with two equivalent NaO6 octahedra. There are a spread of In–O bond distances ranging from 2.16–2.21 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one I5+ atom. The O–I bond length is 1.81 Å. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one In3+, and one I5+ atom. The O–I bond length is 1.87 Å. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.84 Å. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.84 Å. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one In3+, and one I5+ atom. The O–I bond length is 1.87 Å. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one In3+ and one I5+ atom. The O–I bond length is 1.86 Å. There are two inequivalent I5+ sites. In the first I5+ site, I5+ is bonded in a 6-coordinate geometry to three O2- atoms. In the second I5+ site, I5+ is bonded in a 6-coordinate geometry to three O2- atoms.
NaIn(MoO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.31–3.03 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.24–2.60 Å. There are four inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with three equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 19–51°. There are a spread of Mo–O bond distances ranging from 1.75–1.82 Å. In the second Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with three InO6 octahedra. The corner-sharing octahedra tilt angles range from 32–48°. There are a spread of Mo–O bond distances ranging from 1.73–1.84 Å. In the third Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with three equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 34–58°. There are a spread of Mo–O bond distances ranging from 1.74–1.84 Å. In the fourth Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with three InO6 octahedra. The corner-sharing octahedra tilt angles range from 5–49°. There are a spread of Mo–O bond distances ranging from 1.73–1.84 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six MoO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.15–2.22 Å. In the second In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six MoO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.16–2.20 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one In3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Mo6+, and one In3+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Mo6+, and one In3+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Mo6+, and one In3+ atom. In the seventh O2- site, O2- is bonded in a linear geometry to one Mo6+ and one In3+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Na1+ and one Mo6+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one In3+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one In3+ atom. In the eleventh O2- site, O2- is bonded in a trigonal planar geometry to one Na1+, one Mo6+, and one In3+ atom. In the twelfth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Mo6+, and one In3+ atom. In the thirteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one In3+ atom. In the fourteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Na1+ and one Mo6+ atom. In the fifteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one In3+ atom. In the sixteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Mo6+, and one In3+ atom.
NaIn(GeO3)2 is Esseneite structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.48–2.94 Å. In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six equivalent GeO4 tetrahedra and edges with two equivalent InO6 octahedra. There are a spread of In–O bond distances ranging from 2.12–2.26 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three equivalent InO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 42–60°. There are a spread of Ge–O bond distances ranging from 1.74–1.80 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Na1+, one In3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two equivalent In3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Ge4+ atoms.
NaIn(MoSe)6 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Na is bonded in a trigonal planar geometry to three equivalent Se atoms. All Na–Se bond lengths are 2.96 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a distorted see-saw-like geometry to six Mo and four Se atoms. There are a spread of Mo–Mo bond distances ranging from 2.67–2.74 Å. There are a spread of Mo–Se bond distances ranging from 2.63–2.71 Å. In the second Mo site, Mo is bonded in a distorted see-saw-like geometry to six Mo and four Se atoms. Both Mo–Mo bond lengths are 2.67 Å. There are a spread of Mo–Se bond distances ranging from 2.63–2.72 Å. In is bonded in a trigonal planar geometry to three equivalent Se atoms. All In–Se bond lengths are 3.01 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a 1-coordinate geometry to one Na and four Mo atoms. In the second Se site, Se is bonded in a 5-coordinate geometry to four Mo and one In atom.
NaIn(TeO3)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.46–3.11 Å. In3+ is bonded to six O2- atoms to form edge-sharing InO6 octahedra. There are a spread of In–O bond distances ranging from 2.15–2.23 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–1.93 Å. In the second Te4+ site, Te4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.72 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one In3+, and one Te4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two equivalent In3+, and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Na1+, one In3+, and one Te4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, one In3+, and two equivalent Te4+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two Te4+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+, one In3+, and one Te4+ atom.
NaInSi2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.39–2.98 Å. In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with two equivalent InO6 octahedra. There are a spread of In–O bond distances ranging from 2.11–2.26 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent InO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 36–59°. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Na1+, one In3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+ and two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two equivalent In3+, and one Si4+ atom.
NaInF6N2 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonia molecules and one NaInF6 framework. In the NaInF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent InF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.25 Å. In3+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.10 Å. F1- is bonded in a linear geometry to one Na1+ and one In3+ atom.
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
The Nd and Sr isotopic compositions presently reported for anorthosites and related rocks from the Grenville and Nain Provinces of the eastern Canadian shield indicate that the massifs were delivered from at least two distinct mantle source regions which were established before 1650 Myr ago. These regions were episodically involved in magmatism over about 500 Myr. One reservoir was isotopically similar to the depleted, modern midocean ridge basalt source. The other reservoir was chondritic-to-moderately-enriched, and is most easily identified in the Nain Province, but may have occurred scattered throughout Superior Province, as well.
The Sm-Nd and Rb-Sr isotopic compositions of mid to late Proterozoic (approximately 1.6 to 1.1 Ga) massif-type anorthosites and mafic intrusives in the eastern Canadian shield are correlated with geographic location. Complexes in the Grenville province have positive epsilon sub Nd values and initial Sr-87/Sr-86 (I sub Sr) generally less than 0.703, suggesting derivation from depleted mantle. In Labrador, similar complexes close to or northwest of a line roughly corresponding to the Grenville Front have negative epsilon sub Nd values and I sub Sr 0.703. This contrast was intrepreted as reflecting either enriched mantle under the Nain Province, or contamination of the Nain intrusives with older crustal components. Lead isotopic compositions, however, favor the latter. The possibility of using these Proterozoic intrusives as tracers to characterize the nature and extent of older basement types in Labrador is discussed.
Sm-Nd isotopic studies of anorthosites can be used to provide information on their ages of crystallization and metamorphism, contamination history, and mantle sources. Proterozoic anorthosites in the Grenville and Nain Provinces of eastern North America crystallized between about 1100 and 1600 Ma, and some were metamorphosed at about 1000 Ma. Grenville Province anorthosite massifs were derived from depleted mantle. It is not clear whether massifs and related mafic intrusions throughout the Nain Province of Labrador were derived from enriched mantle, or were contaminated by early Archean (greater than 3500 Ma) silicic crustal materials, heretofore thought to be restricted to coastal Labrador.
Alkali-metal-based materials are promising building blocks for energy conversion and storage technologies. Here, we use a molecular reactivity-based solution-phase approach to selectively synthesize multiple phases and specific polymorphs of lithium- and sodium-containing triel chalcogenide nanocrystals, LiTrCh 2 , NaTrCh 2 , and NaTr 3 Ch 5 , where Tr = Ga and In and Ch = S, Se, and Te. Analogous to the case of binary II–VI and III–V tetrahedral semiconductors, where the two commonly isolated zinc blende and wurtzite polymorphs are separated by only 1–50 meV f.u. −1 , we find that LiTrCh 2 nanocrystals easily adopt tetragonal (chalcopyrite) and orthorhombic polymorphs separated by only 2.7–6.2 meV f.u. −1 Because of this small energy difference, soft colloidal synthesis succeeds in accessing either one of these polymorphs, depending on the specific dichalcogenide precursor used. Highly reactive diethyl diselenide favors the thermodynamically more stable tetragonal I$\bar{4}2$d phase, whereas mildly reactive diphenyl diselenide favors the kinetic, metastable orthorhombic Pna2 1 phase. Density functional theory calculations confirm the relative energies among multiple LiTrCh 2 polymorphs and also model the observed powder X-ray diffraction pattern of a new C2 NaIn 3 Te 5 phase. 7 Li, 69 Ga, and 77 Se solid-state NMR spectra are consistent with phase-pure ternary LiGaSe 2 nanocrystals. A majority of the nanocrystal compositions are visible-light emitters. This work opens the door to new Li/Na-based ternary triel chalcogenide nanostructures for energy storage and conversion applications.
Recent studies of the mangerite-charnockite-alaskite suite exposed in the Adirondack Highlands strongly suggest that these rocks were emplaced under anorogenic, or mildly extensional, conditions. The characteristic signatures of the rocks are high (FeO/FeO+MgO) and (FeO/Fe2O3); mildly alkaline to subalkaline and metaluminous trends; high Ga/Al2O3; and within plate concentrations of Nb vs Y, Ta vs Yb, Rb vs (Y+Nb), and Rb vs (Yb+Ta). Evolved members of the series are low in CaO and MgO and high in alkalies and halogens. All of these properties are consistent with anorogenic magmatism comprising acidic crustal melts and mantle derived mafic additions to the crust. Major and minor element trends, as well as field evidence, strongly suggest that the anorogenic acidic suite is coeval, but not comagmatic, with closely associated anorthositic massifs. Present outcrop configurations are consistent with the evolution of the acidic and anorthositic rocks in zoned, bimodal magma chambers cored by the mafic constituents and overlain by explosive, caldera-type volcanism. Age determinations indicate that the emplacement of the anorthosite-charnockite suite extended over approximately 500 Ma in the Grenville and adjacent Nain, Provinces.
Abstract The selective introduction of amine groups within deconstruction products of lignin could provide an avenue for valorizing waste biomass while achieving a green synthesis of industrially relevant building blocks from sustainable sources. Here, we built and characterized enzyme cascades that create aldehydes and subsequently primary amines from diverse lignin‐derived carboxylic acids using a carboxylic acid reductase (CAR) and an ω‐transaminase (TA). Unlike previous studies that have paired CAR and TA enzymes, here we examine multiple homologs of each of these enzymes and a broader set of candidate substrates. In addition, we compare the performance of these systems in cell‐free and resting whole‐cell biocatalysis formats using the conversion of vanillate to vanillyl amine as model chemistry. We also demonstrate that resting whole cells can be recycled for multiple batch reactions. We used the knowledge gained from this study to produce several amines from carboxylic acid precursors using one‐pot biocatalytic reactions, several of which we report for the first time. These results expand our knowledge of these industrially relevant enzyme families to new substrates and contexts for environmentally friendly and potentially low‐cost synthesis of diverse aryl aldehydes and amines.
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Introducing new technologies in one energy-intensive industry can affect how other industries operate and stay resilient, yet these cross-sector interactions are often underappreciated in conventional technology roadmaps. In practice, industrial systems do not evolve in isolation. They are linked through shared upstream and downstream dependencies, such as electricity and fuel supply, critical materials, transportation networks, and enabling infrastructure. As a result, large-scale technology deployment in one sector can reshape resource availability, infrastructure demand, and operational risk in others. These interdependencies mean that technology deployment decisions in one sector can create unintended bottlenecks or cascading benefits in others. Here, this article argues that a cross-sector, system-of-systems perspective is essential for evaluating and scaling emerging technologies in energy-intensive industries. By framing industrial transformation as an interconnected systems challenge rather than a set of isolated sectoral decisions, the study highlights how interdependence shapes technology feasibility, adoption pathways, and resilience outcomes. The article illustrates how cross-sector linkages can amplify both risks and benefits, and it emphasizes the importance of integrated planning approaches that account for shared dependencies, cascading impacts, and co-optimization opportunities. Adopting this broader perspective can support more robust technology roadmaps, improve strategic coordination across industries, and strengthen the long-term resilience of the industrial sector as a whole.
Biomass supply chain (BSC) management is an integral part of renewable energy projects, which include biomass-harvesting, collection, storage, processing and transportation to the bio-energy plants. The sustainability concept identifies economy, environment, and society as the three principal pillars of bioenergy. With an effective BSC implemented, all three dimensions of sustainability can be attained. Although, there’s been extensive research on the environmental sustainability of BSC, the economic aspects are under-represented in existing literature. So, an elaborate analysis on the economic viability of BSCs developed worldwide and those in India is critical, and needs to be studied. This review conducts a detailed accounting of the economic aspects of a BSC which includes the existing challenges in designing an environmental-cum-economically efficient BSC and strategies to address the issues. The Indian context has been studied on the BSC models, highlighting their shortcomings, while encapsulating the essential insights from global BSC models for a cost-effective BSC-to-bioenergy in India. Here, this review also emphasizes the policies supporting the BSC in India and forecasts the future biomass demand and supply. This review will provide stakeholders with critical insights on BSC and related challenges and assist them to investigate and devise strategies for successful implementation of BSCs in India.