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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on La(CoGe)2 by Materials Project

LaCo2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight equivalent Co and eight equivalent Ge atoms. All La–Co bond lengths are 3.28 Å. All La–Ge bond lengths are 3.23 Å. Co is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Ge atoms. All Co–Ge bond lengths are 2.36 Å. Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.80 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(NiGe)2 by Materials Project

LaNi2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight equivalent Ni and eight equivalent Ge atoms. All La–Ni bond lengths are 3.25 Å. All La–Ge bond lengths are 3.26 Å. Ni is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Ge atoms. All Ni–Ge bond lengths are 2.39 Å. Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.66 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(CuGe)2 by Materials Project

LaCu2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight equivalent Cu and eight equivalent Ge atoms. All La–Cu bond lengths are 3.32 Å. All La–Ge bond lengths are 3.25 Å. Cu is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Ge atoms. All Cu–Ge bond lengths are 2.47 Å. Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(FeGe)2 by Materials Project

LaFe2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight equivalent Fe and eight equivalent Ge atoms. All La–Fe bond lengths are 3.40 Å. All La–Ge bond lengths are 3.20 Å. Fe is bonded to four equivalent La and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing FeLa4Ge4 tetrahedra. All Fe–Ge bond lengths are 2.45 Å. Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.73 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(GePd)2 by Materials Project

LaPd2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Ge atoms. All La–Pd bond lengths are 3.37 Å. All La–Ge bond lengths are 3.37 Å. Pd is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Ge atoms. All Pd–Ge bond lengths are 2.55 Å. Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.53 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(GePt)2 by Materials Project

LaPt2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight equivalent Pt and eight equivalent Ge atoms. All La–Pt bond lengths are 3.37 Å. All La–Ge bond lengths are 3.41 Å. Pt is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Ge atoms. All Pt–Ge bond lengths are 2.55 Å. Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.58 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(NiSn)2 by Materials Project

LaNi2Sn2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight equivalent Ni and eight equivalent Sn atoms. All La–Ni bond lengths are 3.45 Å. All La–Sn bond lengths are 3.48 Å. Ni is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.53 Å. Sn is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ni, and one Sn atom. The Sn–Sn bond length is 2.90 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(AlGa)2 by Materials Project

LaAl2Ga2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight equivalent Ga and eight equivalent Al atoms. All La–Ga bond lengths are 3.29 Å. All La–Al bond lengths are 3.52 Å. Ga is bonded in a 9-coordinate geometry to four equivalent La, one Ga, and four equivalent Al atoms. The Ga–Ga bond length is 2.56 Å. All Ga–Al bond lengths are 2.63 Å. Al is bonded to four equivalent La and four equivalent Ga atoms to form a mixture of distorted corner, edge, and face-sharing AlLa4Ga4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(AlZn)2 by Materials Project

Al2LaZn2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight equivalent Zn and eight equivalent Al atoms. All La–Zn bond lengths are 3.26 Å. All La–Al bond lengths are 3.49 Å. Zn is bonded in a 9-coordinate geometry to four equivalent La, one Zn, and four equivalent Al atoms. The Zn–Zn bond length is 2.50 Å. All Zn–Al bond lengths are 2.61 Å. Al is bonded to four equivalent La and four equivalent Zn atoms to form a mixture of distorted corner, edge, and face-sharing AlLa4Zn4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(ClO4)3 by Materials Project

La(ClO4)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to nine O atoms. There are six shorter (2.55 Å) and three longer (2.56 Å) La–O bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.42 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one La and one Cl atom. The O–Cl bond length is 1.47 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one La and one Cl atom. The O–Cl bond length is 1.47 Å. Cl is bonded in a tetrahedral geometry to four O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(ClO3)3 by Materials Project

LaO3(ClO2)3 is Upper Bainite-like structured and crystallizes in the orthorhombic Ama2 space group. The structure is zero-dimensional and consists of twelve hypochlorous acid;hydrate molecules and four LaO3 clusters. In each LaO3 cluster, La is bonded in a trigonal planar geometry to three O atoms. There are one shorter (2.06 Å) and two longer (2.11 Å) La–O bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one La atom. In the second O site, O is bonded in a single-bond geometry to one La atom. In the third O site, O is bonded in a single-bond geometry to one La atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(Al10Cr)2 by Materials Project

La(CrAl10)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to sixteen Al atoms. There are four shorter (3.14 Å) and twelve longer (3.26 Å) La–Al bond lengths. Cr is bonded to twelve Al atoms to form CrAl12 cuboctahedra that share corners with six equivalent CrAl12 cuboctahedra, edges with eighteen equivalent AlLaAl10Cr cuboctahedra, and faces with six equivalent AlLaAl10Cr cuboctahedra. There are six shorter (2.57 Å) and six longer (2.77 Å) Cr–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Cr and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–2.82 Å. In the second Al site, Al is bonded in a linear geometry to two equivalent La and twelve equivalent Al atoms. All Al–Al bond lengths are 3.13 Å. In the third Al site, Al is bonded to one La, one Cr, and ten Al atoms to form distorted AlLaAl10Cr cuboctahedra that share corners with fifteen equivalent AlLaAl10Cr cuboctahedra, edges with two equivalent AlLaAl10Cr cuboctahedra, edges with three equivalent CrAl12 cuboctahedra, a faceface with one CrAl12 cuboctahedra, and faces with fifteen equivalent AlLaAl10Cr cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.77–2.89 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La by Materials Project

La is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. La is bonded in a distorted body-centered cubic geometry to eight equivalent La atoms. All La–La bond lengths are 3.66 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La by Materials Project

La is Copper structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La is bonded to twelve equivalent La atoms to form a mixture of edge, corner, and face-sharing LaLa12 cuboctahedra. There are four shorter (3.71 Å) and eight longer (3.76 Å) La–La bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Lithium-Ion Mobility in Layered Oxide Li 2 (La 0.75 Li 0.25 )(Ta 1.5 Ti 0.5 )O 7 Containing Lithium on both Intra and Inter‐Stack Positions

With the aid of neutron diffraction and electrochemical impedance spectroscopy, we have demonstrated the effect of the increase in lithium concentration and distribution on Li-ion conductivity. This has been done through the synthesis of a layered oxide Li 2 (La 0.75 Li 0.25 )(Ta 1.5 Ti 0.5 )O 7 , with the so-called Ruddlesden-Popper type structure, where bilayer stacks of (Ta/Ti)O 6 octahedra are separated by lithium ions, located in inter-stack spaces. There are also intra-stack spaces that are occupied by a mixture of La and Li, as confirmed by neutron diffraction. The distribution of lithium over both inter- and intra-stack positions leads to the enhancement of Li-ion conductivity in Li 2 (La 0.75 Li 0.25 )(Ta 1.5 Ti 0.5 )O 7 compared to Li 2 La(TaTi)O 7 , which has a lower concentration of lithium ions, located only in inter-stack spaces. Furthermore, the analyses of real and imaginary components of electrochemical impedance data confirm the enhanced mobility of ions in Li 2 (La 0.75 Li 0.25 )(Ta 1.5 Ti 0.5 )O 7 . While the Li-ion conductivity needs further improvement for practical applications, the success of the strategy implemented in this work offers a useful methodology for the design of layered ionic conductors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Competing Charge/Spin-Stripe and Correlated Metal Phases in Trilayer Nickelates (Pr 1– x La x ) 4 Ni 3 O 8

We report low valent nickelates R n+1 Ni n O 2n+2 (R = rare earth) containing Ni 1+ (d 9 ) with a quasi-two-dimensional (quasi-2D) square-planar coordination geometry possess structural and electronic properties that are similar to those of high T c cuprates, including superconductivity itself in the doped infinite-layer (n = ∞) RNiO 2 system. Within this R n+1 Ni n O 2n+2 nickelate family, the crystallographic isomorphs Pr 4 Ni 3 O 8 and La 4 Ni 3 O 8 exhibit singularly different ground states: Pr 4 Ni 3 O 8 is metallic, and La 4 Ni 3 O 8 is a charge- and spin-stripe-ordered insulator. To explore and understand the ground state evolution from metallic Pr 4 Ni 3 O 8 to stripe-ordered La 4 Ni 3 O 8 in the R 4 Ni 3 O 8 family, we have grown a series of isovalent, substituted single crystals (Pr 1-x La x ) 4 Ni 3 O 8 . Combining thermodynamic, transport, magnetic, and synchrotron X-ray single crystal diffraction measurements, we reveal a T = 0 transition between metallic and stripe-insulator phase regions, with this putative quantum phase transition at x ≈ 0.45. We propose two possible models for (Pr 1-x La x ) 4 Ni 3 O 8 : an electronically inhomogeneous system that could serve as a candidate for exploring quantum Griffiths phase physics or a homogeneous system with a clean quantum critical point at the phase boundary

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Pressure-Induced Phase Transitions in Bilayer La 3 Ni 2 O 7

La 3 Ni 2 O 7 differs from expectations in part because at ambient pressure, it exists in two polymorphs: an unconventional crystal structure with alternating layers of single- and triple-layered nickel−oxygen octahedra (i.e., La 2 NiO 4 plus La 4 Ni 3 O 10 , with the so-called 1313 crystal structure) and a classical double-layer Ruddlesden−Popper phase (i.e., La 3 Ni 2 O 7 , with the so-called 2222 crystal structure, which dominates at high pressure). In this study, we report the pressure-dependent structural and electrical resistive properties of single crystals of the classical double-layered La 3 Ni 2 O 7 , grown at slightly elevated pressure using the floating-zone method. Structural characterization under pressures up to 15.4 GPa reveals a gradual transition from orthorhombic to tetragonal symmetry that is completed at 12−14 GPa. Additionally, we present pressure and field-dependent electrical resistance measurements up to 27.4 GPa, from which we construct a phase diagram. Although a resistive transition at 80 K is observed at high pressures, the resistive hallmarks of superconductivity are not.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Evaluating the feasibility of LA-ICP-TOF-MS for the analysis of environmental particle collections

Laser ablation-inductively coupled plasma-time-of-flight-mass spectrometry (LA-ICP-TOF-MS) was employed to rapidly analyze environmental particle samples collected using aerosol contaminate extractors (ACE). The ACE particle collectors were placed at various distances (0.5, 1.3, and 4.5 km) from a source that released Ru-bearing particles. Samples for measurement were then generated (as sub-samples) from the ACE collection plates via particle “lift off” with gunshot residue (GSR) tabs. The LA-ICP-TOF-MS method was employed such that 10+ samples could be analyzed in a single unattended analytical session. A 3 × 1 mm area of individual GSR tab samples were analyzed in less than 30 minutes. This provided spatially resolved elemental and isotopic measurements of the particulate content and confirmed the presence of Ru-bearing particles within the complex background environmental particle loading. As anticipated, measurements showed collectors closest to the source had the highest concentration of the released Ru-bearing particles, while all collectors, regardless of distance, contained similar levels of background particles (e.g., Fe and Sr). Sequential scanning electron microscopy – automated particle analysis (SEM-APA) and LA-ICP-TOF-MS analysis was employed for method validation and a demonstration of the multi-modal approach. The same 2-dimensional region was analyzed by both methods and the particles identified via SEM-APA were also detected using LA-ICP-TOF-MS, with 100% accuracy. Overall, LA-ICP-TOF-MS demonstrated its utility for rapid elemental and isotopic particle analysis from environmental air samples.

Manard, Benjamin T. [Oak Ridge National Laboratory↗