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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Threshold Ionization Spectroscopy and Theoretical Calculations of LnO (Ln = La and Ce)

Mass-analyzed threshold ionization (MATI) spectroscopy was used to measure the vibronic spectra of LnO (Ln = La and Ce). Single-reference coupled cluster and relativistic multireference configuration calculations were carried out to compare with the measured vibronic energies. The spectrum of LaO displays a single vibronic band system, while that of CeO shows multiple ones. The ionization energies of LaO and CeO are measured as 5.2446 (6) and 5.3332(6) eV, respectively, which are a hundredfold improvement over the literature values. The vibrational energies of the neutral molecule and corresponding ion reveal the charge effect on the metal-oxygen bond of both species. The single band system in the spectrum of LaO arises from the transition of the ground state of the neutral molecule with the La(6s 1 )O(2p 6 ) valence configuration to the ground state of the singly charged ion with the La(6s o )O(2p 6 ) configuration. Here, the multiple band systems in the spectrum of CeO are attributed to the spin-orbit coupling for the Ce(4f 1 6s 1 )O(2p 6 ) configuration of the neutral molecule and an excited state for the Ce(4f 1 )O(2p 6 ) configuration of the ion.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Renewable linear alpha-olefins by base-catalyzed dehydration of biologically-derived fatty alcohols

In this work, base catalysts were studied for the dehydration of fatty alcohols to linear alpha olefins (LAOs). For the dehydration of 1-octanol to 1-octene, 15%Cs/SiO 2 catalyst was 56% selective at 10% conversion. Diluting a feed of C 8 , C 10 , and C 14 fatty alcohols to 50% in undecane increased the selectivity to alpha olefins to 77-99%. 15%Cs/SiO 2 was further investigated for the dehydration of a 4.2 g/L mixed C 8 -C 14 fatty alcohol in tridecane feed and showed linear alpha olefin selectivities of 78-100% at initial conversions of 51-91% with the conversion lowering to 32-77% over 30 h. Catalytic activity was totally regenerated through calcination. A feed of biologically derived alcohols was produced with E. coli strain CM24 transformed with three plasmids (pBTRCk – pVHb – maACR, pACYC – pVHb – seFadBA, pTRC99A – pVHb – tdTER – fdh) which yielded a 5.5 g/L of C 8 -C 14 fatty alcohol in tridecane. This biologically-derived feed was successfully dehydrated to linear alpha olefins over 15%Cs/SiO 2 at selectivities of 60-100% with initial conversions of 35-75% which decreased to 22-55% over 30 h. Techno-economic analysis (TEA) of the integrated process for fatty alcohol production and subsequent dehydration to alpha olefins was conducted across the potential fermentation TRY (titer, rate, yield) landscape. Baseline fermentation performance resulted in a minimum product selling price (MPSP) double the market price for LAOs due to low titers and high costs associated with managing water and tridecane solvent flows through the system. However, targeted improvements in fermentation performance (e.g., achieving 40 g/L titer, 0.5 g/L/h productivity, 80% theoretical yield) can enable financially viable production of biologically derived LAOs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

First-principles modeling of conductivity at the (001), (110), and (111) SrTiO 3 /LaAlO 3 heterointerfaces

Here, the complex polar oxide heterojunction of SrTiO 3 /LaAlO 3 (STO/LAO) is of great interest due to the emergent physical phenomena observed at the interface. STO and LAO separately are wide band-gap insulators. However, upon joining them at the 001, 110, and 111 crystallographic planes, the interface undergoes a transition to a conductive state. Although first-principles modeling of the 001 plane interface has been widely studied, there is a lack of reports regarding the 110 and 111. This paper expands the theoretical model of the STO/LAO heterointerface to the three crystallographic planes (001, 110, and 111) where the conductivity has been experimentally reported. The calculations showed that whereas at the 001 interface the conductivity appears at a critical thickness of 4 monolayers of LAO, the 110 and 111 planes have no clear critical thickness; these two interfaces were always conductive. Nevertheless, the number of conductive electrons per unit cell increases with the thickness of the LAO layer in the 110 and 111 interfaces. This is related to the energy levels downshifting due to the electrostatic potential buildup (which was in the opposite direction respect to the 001 interface), increasing the number of conductive sates below the Fermi level. Given the absence of a critical thickness and the fact that chemical intermixing and oxygen vacancies at the interface were not considered, the main mechanism responsible for the conductivity in the 110 and 111 planes was attributed to the large structure reconstruction that locally changes the energy levels at the interface causing charge transfer and accumulation at the layers close to the interface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Data for Renewable Linear Alpha-Olefins by Base-Catalyzed Dehydration of Biologically-Derived Fatty Alcohols

Base catalysts were studied for the dehydration of fatty alcohols to linear alpha olefins (LAOs). For the gas phase dehydration of 1-octanol to 1-octene, 15% Cs/SiO2 catalyst was 56% selective at 10% conversion. Diluting a feed of C8, C10, and C14 fatty alcohols to 50% in undecane increased the selectivity to alpha olefins to 77–99%. 15% Cs/SiO2 was further investigated for the gas phase dehydration of a 4.2 g L−1 mixed C8–C14 fatty alcohol in tridecane feed and showed linear alpha olefin selectivities of 78–100% at initial conversions of 51–91% with the conversion lowering to 32–77% over 30 h. Catalytic activity was totally regenerated through calcination. A feed of biologically derived alcohols was produced with E. coli strain CM24 transformed with three plasmids (pBTRCk–pVHb–maACR, pACYC–pVHb–seFadBA, pTRC99A–pVHb–tdTER–fdh) which yielded a 5.5 g L−1 of C8–C14 fatty alcohol in tridecane. This biologically-derived feed was successfully dehydrated to linear alpha olefins over 15% Cs/SiO2 at selectivities of 60–100% with initial conversions of 35–75% which decreased to 22–55% over 30 h. Techno-economic analysis (TEA) of the integrated process for fatty alcohol production and subsequent dehydration to alpha olefins was conducted across the potential fermentation TRY (titer, rate, yield) landscape. Baseline fermentation performance resulted in a minimum product selling price (MPSP) double the market price for LAOs due to low titers and high costs associated with managing water and tridecane solvent flows through the system. However, targeted improvements in fermentation performance (e.g., achieving 40 g L−1 titer, 0.5 g L−1 h−1 productivity, 80% theoretical yield) can enable financially viable production of biologically derived LAOs.

Catalysis↗
DOE OSTI2020

Materials Data on LaGaSe2O by Materials Project

(LaO)GaSe2 crystallizes in the orthorhombic Pca2_1 space group. The structure is two-dimensional and consists of one GaSe2 sheet oriented in the (0, 0, 1) direction and one LaO sheet oriented in the (0, 0, 1) direction. In the GaSe2 sheet, Ga3+ is bonded to four Se2- atoms to form corner-sharing GaSe4 tetrahedra. There are one shorter (2.35 Å) and three longer (2.47 Å) Ga–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted single-bond geometry to one Ga3+ atom. In the second Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to three equivalent Ga3+ atoms. In the LaO sheet, La3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.44 Å. O2- is bonded to four equivalent La3+ atoms to form a mixture of distorted corner and edge-sharing OLa4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2SnS3O2 by Materials Project

(LaO)2SnS3 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two SnS3 ribbons oriented in the (0, 1, 0) direction and two LaO sheets oriented in the (0, 0, 1) direction. In each SnS3 ribbon, Sn4+ is bonded to four S2- atoms to form corner-sharing SnS4 tetrahedra. There are a spread of Sn–S bond distances ranging from 2.38–2.49 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in an L-shaped geometry to two equivalent Sn4+ atoms. In the second S2- site, S2- is bonded in a 1-coordinate geometry to one Sn4+ atom. In each LaO sheet, La3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are three shorter (2.41 Å) and one longer (2.42 Å) La–O bond lengths. O2- is bonded to four equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCuSO by Materials Project

(LaO)CuS is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CuS sheet oriented in the (0, 0, 1) direction and one LaO sheet oriented in the (0, 0, 1) direction. In the CuS sheet, Cu1+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.42 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Cu1+ atoms. In the LaO sheet, La3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All La–O bond lengths are 2.36 Å. O2- is bonded to four equivalent La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3Cu4(P2O)2 by Materials Project

La(CuP)4(LaO)2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two La(CuP)4 sheets oriented in the (0, 0, 1) direction and two LaO sheets oriented in the (0, 0, 1) direction. In each La(CuP)4 sheet, La3+ is bonded to eight equivalent P3- atoms to form LaP8 hexagonal bipyramids that share corners with sixteen equivalent CuP4 tetrahedra, edges with four equivalent LaP8 hexagonal bipyramids, edges with eight equivalent CuP4 tetrahedra, and faces with four equivalent LaP8 hexagonal bipyramids. All La–P bond lengths are 3.08 Å. Cu+1.75+ is bonded to four P3- atoms to form CuP4 tetrahedra that share corners with four equivalent LaP8 hexagonal bipyramids, corners with four equivalent CuP4 tetrahedra, edges with two equivalent LaP8 hexagonal bipyramids, and edges with four equivalent CuP4 tetrahedra. There are two shorter (2.35 Å) and two longer (2.47 Å) Cu–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to four equivalent La3+, four equivalent Cu+1.75+, and one P3- atom. The P–P bond length is 2.26 Å. In the second P3- site, P3- is bonded in a 4-coordinate geometry to four equivalent Cu+1.75+ atoms. In each LaO sheet, La3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All La–O bond lengths are 2.37 Å. O2- is bonded to four equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La4Cu4Se3SO4 by Materials Project

(LaO)4Cu4Se3S crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one Cu4Se3S sheet oriented in the (0, 0, 1) direction and one LaO sheet oriented in the (0, 0, 1) direction. In the Cu4Se3S sheet, Cu1+ is bonded to three Se2- and one S2- atom to form a mixture of edge and corner-sharing CuSe3S tetrahedra. There are one shorter (2.52 Å) and two longer (2.53 Å) Cu–Se bond lengths. The Cu–S bond length is 2.42 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to four equivalent Cu1+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to four equivalent Cu1+ atoms. S2- is bonded in a 4-coordinate geometry to four equivalent Cu1+ atoms. In the LaO sheet, there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All La–O bond lengths are 2.38 Å. In the second La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All La–O bond lengths are 2.39 Å. In the third La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All La–O bond lengths are 2.38 Å. O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La4Cu4SeS3O4 by Materials Project

(LaO)4Cu4SeS3 crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one Cu4SeS3 sheet oriented in the (0, 0, 1) direction and one LaO sheet oriented in the (0, 0, 1) direction. In the Cu4SeS3 sheet, Cu1+ is bonded to one Se2- and three S2- atoms to form a mixture of edge and corner-sharing CuSeS3 tetrahedra. The Cu–Se bond length is 2.50 Å. All Cu–S bond lengths are 2.42 Å. Se2- is bonded in a 12-coordinate geometry to four equivalent Cu1+ atoms. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to four equivalent Cu1+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four equivalent Cu1+ atoms. In the LaO sheet, there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All La–O bond lengths are 2.37 Å. In the second La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All La–O bond lengths are 2.36 Å. In the third La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All La–O bond lengths are 2.37 Å. O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2Zn(SeO)2 by Materials Project

(LaO)2ZnSe2 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two LaO sheets oriented in the (1, 0, 0) direction and two ZnSe2 sheets oriented in the (1, 0, 0) direction. In each LaO sheet, there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.38 Å) and two longer (2.39 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.38 Å) and two longer (2.40 Å) La–O bond lengths. In the third La3+ site, La3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.41 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In each ZnSe2 sheet, there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four Se2- atoms to form a mixture of edge and corner-sharing ZnSe4 tetrahedra. There are two shorter (2.50 Å) and two longer (2.53 Å) Zn–Se bond lengths. In the second Zn2+ site, Zn2+ is bonded to four Se2- atoms to form corner-sharing ZnSe4 tetrahedra. All Zn–Se bond lengths are 2.51 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted water-like geometry to two equivalent Zn2+ atoms. In the second Se2- site, Se2- is bonded in a 2-coordinate geometry to two equivalent Zn2+ atoms. In the third Se2- site, Se2- is bonded in a distorted water-like geometry to two Zn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Electrochromic Properties of Perovskite NdNiO 3 Thin Films for Smart Windows

Semiconductors with electrically tunable band gaps are of great interest in controlling transparency to electromagnetic radiation. Thin films of perovskite nickelate NdNiO 3 (NNO), a class of correlated oxides, were deposited on single-crystal (LaAlO 3 (LAO)) and polycrystalline (fluorine-doped tin oxide-coated glass (FTO)) substrates by magnetron sputtering, chemical solution deposition (CSD), and atomic layer deposition (ALD). Their electrochromic behaviors were investigated using a three-electrode setup in basic (KOH solution, pH = 12) electrolyte. During bleaching/coloration process, the proton intercalation/deintercalation and simultaneous electron compensation in the NNO lattice under electrical bias led to crossover of the material between the pristine-conducting phase (Ni 3+ ) and the strongly correlated insulating phase (Ni 2+ ), which serves as the working principle for electrochromic (tunable opacity in the visible range) behavior. Cyclic voltammetry (CV) scans demonstrate that NNO films are electrochemically stable in basic solutions for all three film deposition methods explored here. CV scans at varying rates enabled the extraction of diffusion coefficient of protons in thin film NNO, which is similar to 10 –7 cm 2 s –1 among all films studied. Large light transmittance modulation by bleaching and coloration was observed on films grown on both LAO and FTO substrates, suggesting its potential as an electrochromic material candidate for smart windows and optical shutter applications. Here, porous NNO films obtained by chemical solution deposition tend to demonstrate stronger electrochromic activity than dense films grown by sputtering or ALD.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Strain- and thickness-dependent magnetic properties of epitaxial La 0.67 Sr 0.33 CoO 3 /La 0.67 Sr 0.33 MnO 3 bilayers

Magnetic properties and interfacial phenomena of epitaxial perovskite oxides depend sensitively on parameters such as film thickness and strain state. In this work, epitaxial La0 .67 Sr 0.33 CoO 3 (LSCO)/La 0.67 Sr 0.33 MnO 3 (LSMO) bilayers were grown on NdGaO 3 (NGO) and LaAlO 3 (LAO) substrates with a fixed LSMO thickness of 6 nm, and LSCO thickness (t LSCO ) varying from 2 to 10 nm. Soft x-ray magnetic spectroscopy revealed that magnetically active Co 2+ ions that strongly coupled to the LSMO layer were observed below a critical t LSCO for bilayers grown on both substrates. On LAO substrates, this critical thickness was 2 nm, above which the formation of Co 2+ ions was quickly suppressed leaving only a soft LSCO layer with mixed valence Co 3+ /Co 4+ ions. The magnetic properties of both LSCO and LSMO layers displayed strong t LSCO dependence. This critical t LSCO increased to 4 nm on NGO substrates, and the magnetic properties of only the LSCO layer displayed t LSCO dependence. A non-magnetic layer characterized by Co 3+ ions and with a thickness below 2 nm exists at the LSCO/substrate interface for both substrates. Therefore, the results contribute to the understanding of interfacial exchange spring behavior needed for applications in next generation spintronic and magnetic memory devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Nanoscale control of LaAlO 3 /SrTiO 3 conductance beyond the polar catastrophe

Conductive atomic force microscope (c-AFM) lithography can be utilized to create a wide range of LaAlO 3 /SrTiO 3 (LAO/STO)-based nanoelectronic devices in a reconfigurable manner. Experiments were generally performed with intrinsically insulating LAO/STO heterostructures, with LAO thickness less than the critical value at which a polar catastrophe takes place [<4 unit cell (u.c.)]. Here, we use inductively coupled plasma reactive ion etching (ICPRIE) to fabricate c-AFM “canvases” on intrinsically conducting LAO/STO samples with ≥4 u.c. LAO. We observe that its interfacial two-dimensional electron gas (2DEG) can be pinched off and then switched back on by c-AFM lithography. Nanowires created with initially conductive LAO/STO interfaces have an order-of-magnitude longer lifetime in ambient conditions, when compared to an identically created 3.4 u.c. LAO/STO nanowire. We also demonstrate key nanoscale properties such as ballistic transport in a quasi-one-dimensional electron waveguide at a 5 u.c. LAO/STO interface. This approach frees c-AFM-written nanodevice designs from time constraints in air associated with <4 u.c. LAO/STO heterostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Understanding the transient large amplitude oscillatory shear behavior of yield stress fluids

A full understanding of the sequence of processes exhibited by yield stress fluids under large amplitude oscillatory shearing is developed using multiple experimental and analytical approaches. A novel component rate Lissajous curve, where the rates at which strain is acquired unrecoverably and recoverably are plotted against each other, is introduced and its utility is demonstrated by application to the analytical responses of four simple viscoelastic models. Using the component rate space, yielding and unyielding are identified by changes in the way strain is acquired, from recoverably to unrecoverably and back again. The behaviors are investigated by comparing the experimental results with predictions from the elastic Bingham model that is constructed using the Oldroyd–Prager formalism and the recently proposed continuous model by Kamani, Donley, and Rogers in which yielding is enhanced by rapid acquisition of elastic strain. The physical interpretation gained from the transient large amplitude oscillatory shear (LAOS) data is compared to the results from the analytical sequence of physical processes framework and a novel time-resolved Pipkin space. The component rate figures, therefore, provide an independent test of the interpretations of the sequence of physical processes analysis that can also be applied to other LAOS analysis frameworks. Each of these methods, the component rates, the sequence of physical processes analysis, and the time-resolved Pipkin diagrams, unambigiously identifies the same material physics, showing that yield stress fluids go through a sequence of physical processes that includes elastic deformation, gradual yielding, plastic flow, and gradual unyielding.

Kamani, Krutarth M. (ORCID:0000000338975420)↗
DOE OSTI2020

Materials Data on LaCoPO by Materials Project

LaCoPO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CoP sheet oriented in the (0, 0, 1) direction and one LaO sheet oriented in the (0, 0, 1) direction. In the CoP sheet, Co2+ is bonded to four equivalent P3- atoms to form a mixture of distorted edge and corner-sharing CoP4 tetrahedra. All Co–P bond lengths are 2.22 Å. P3- is bonded in a 4-coordinate geometry to four equivalent Co2+ atoms. In the LaO sheet, La3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All La–O bond lengths are 2.36 Å. O2- is bonded to four equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCuSeO by Materials Project

LaCuOSe is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CuSe sheet oriented in the (0, 0, 1) direction and one LaO sheet oriented in the (0, 0, 1) direction. In the CuSe sheet, Cu1+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing CuSe4 tetrahedra. All Cu–Se bond lengths are 2.52 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent Cu1+ atoms. In the LaO sheet, La3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All La–O bond lengths are 2.38 Å. O2- is bonded to four equivalent La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaNO4 by Materials Project

LaONO3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four nitric acid molecules and two LaO ribbons oriented in the (0, 1, 0) direction. In each LaO ribbon, La3+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. There are one shorter (2.13 Å) and one longer (2.16 Å) La–O bond lengths. O2- is bonded in a distorted bent 150 degrees geometry to two equivalent La3+ atoms.

36 MATERIALS SCIENCE↗