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Title: A Hydride Route to Ternary Alkali Metal Borides: A Case Study of Lithium Nickel Borides

Journal Article · · Chemistry - A European Journal

In this study, ternary lithium nickel borides LiNi3B1.8 and Li2.8Ni16B8 have been synthesized by using reactive LiH as a precursor. This synthetic route allows better mixing of the precursor powders, thus facilitating rapid preparation of the alkali-metal-containing ternary borides. This method is suitable for “fast screening” of multicomponent systems comprised of elements with drastically different reactivities. The crystal structures of the compounds LiNi3B1.8 and Li2.8Ni16B8 have been re-investigated by a combination of single-crystal X-ray/synchrotron powder diffraction, solid-state 7Li and 11B NMR spectroscopies, and scanning transmission electron microscopy. This has allowed the determination of fine structural details, including the split position of Ni sites and the ordering of B vacancies. Lastly, field-dependent and temperature-dependent magnetization measurements are consistent with spin-glass behavior for both samples.

Research Organization:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
Grant/Contract Number:
AC02-07CH11358; AC02‐06CH11357
OSTI ID:
1501619
Report Number(s):
IS-J-9902
Journal Information:
Chemistry - A European Journal, Vol. 25, Issue 16; ISSN 0947-6539
Publisher:
ChemPubSoc EuropeCopyright Statement
Country of Publication:
United States
Language:
English

References (60)

Crystal structure of a Cu3Au-type compound CeRh3B0.5 studied by high-resolution electron microscopy journal December 2006
Structural variations of ScRh3Bx (x=0–1) phase studied by transmission electron microscopy journal March 2009
Superconductivity at 39 K in magnesium diboride journal March 2001
Magnetocaloric Effect in AlFe 2 B 2 : Toward Magnetic Refrigerants from Earth-Abundant Elements journal June 2013
Projector augmented-wave method journal December 1994
Die Kristallstrukturen von Li3Ni20B6 und Li~3Ni16B~8 journal January 1980
From ultrasoft pseudopotentials to the projector augmented-wave method journal January 1999
Magnetochemische Untersuchungen. Die thermomagnetischen Eigenschaften der Elemente. II journal January 1912
NMR nomenclature. Nuclear spin properties and conventions for chemical shifts(IUPAC Recommendations 2001) journal January 2001
Tern�re Phasen im System Lithium-Nickel-Bor journal May 1976
“Design” in Chemical Synthesis—An Illusion? journal May 2006
Pulse plasma synthesis and chemical bonding in magnesium diboride journal April 2003
TaRh 2 B 2 and NbRh 2 B 2 : Superconductors with a chiral noncentrosymmetric crystal structure journal May 2018
Preparation and properties of a new ternary phase Mg3+Ni7−B2 (0.17≤x≤0.66) and its Cu-doping effect journal March 2015
Measuring distances between half-integer quadrupolar nuclei and detecting relative orientations of quadrupolar and dipolar tensors by double-quantum homonuclear dipolar recoupling nuclear magnetic resonance experiments journal May 2008
Bor - elementare Herausforderung für Experimentatoren und Theoretiker journal November 2009
Understanding Fluxes as Media for Directed Synthesis: In Situ Local Structure of Molten Potassium Polysulfides journal May 2012
Boron Isotope Effect in Superconducting MgB 2 journal February 2001
Perspective: Toward “synthesis by design”: Exploring atomic correlations during inorganic materials synthesis journal May 2016
Boron-Dependency of Molybdenum Boride Electrocatalysts for the Hydrogen Evolution Reaction journal April 2017
Influence of the transition-metal substitution on the physical properties of Lu2−xNi21B6 – From Pauli-paramagnetism to weak ferromagnetism journal January 2012
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
Isotope effect on electron-phonon interaction in the multiband superconductor MgB 2 journal April 2016
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Crystal structure and physical properties of the new ternary compound MgNi7B3 journal March 2010
In situ studies of a platform for metastable inorganic crystal growth and materials discovery journal July 2014
Die thermomagnetischen Eigenschaften der Elemente journal January 1910
Synthesis and Magnetic Properties of the Boride Series MRh 6- n Ru n B 3 (M = Co, Ni; n = 1-5) : Synthesis and Magnetic Properties of the Boride Series MRh journal July 2017
From One to Three Dimensions: Corrugated 1 [NiGe] Ribbons as a Building Block in Alkaline Earth Metal Ae/Ni/Ge Phases with Crystal Structure and Chemical Bonding in AeNiGe (Ae = Mg, Sr, Ba) journal June 2013
Crystallographic Computing System JANA2006: General features journal January 2014
Crystal structures and constitution of the binary system iridium-boron journal August 2015
A Simple, General Synthetic Route toward Nanoscale Transition Metal Borides journal February 2018
Homonuclear dipolar recoupling of half-integer spin quadrupolar nuclei: Techniques and applications journal September 2009
Crucible-Free Preparation of Transition-Metal Borides: HfB 2 journal August 2017
Pt–B System Revisited: Pt 2 B, a New Structure Type of Binary Borides. Ternary WAl 12 -Type Derivative Borides journal November 2015
Boron: Elementary Challenge for Experimenters and Theoreticians journal November 2009
Two-dimensional solid-state nutation NMR of half-integer quadrupolar nuclei journal January 1987
LiBx (0.82 < × ≤ 1.0) – an Incommensurate Composite Structure below 150 K journal August 2006
Prediction and accelerated laboratory discovery of previously unknown 18-electron ABX compounds journal March 2015
Rediscovering the Crystal Chemistry of Borides journal March 2017
Boron-Dependency of Molybdenum Boride Electrocatalysts for the Hydrogen Evolution Reaction journal April 2017
Facile Synthesis of Ba 1– x K x Fe 2 As 2 Superconductors via Hydride Route journal November 2014
Relationships between crystal structure and magnetic properties in Nd 2 Fe 14 B journal April 1984
Darstellung und Kristallstruktur von MgNi2,5B3 und Li1,2Ni2,5B2 / Preparation and Crystal Structure of MgNi2,5B2 and Li1,2Ni2,5B2 journal December 1977
Single crystal growth from light, volatile and reactive materials using lithium and calcium flux journal April 2014
“Design” in der chemischen Synthese – eine Fiktion? journal May 2006
A short history of SHELX journal December 2007
Ultraincompressible, Superhard Materials journal July 2016
Structure, transport and magnetic properties of MgNi3B2 journal January 2007
Superconductor-in-an-Hour: Spark Plasma Synthesis of Co- and Ni-Doped BaFe 2 As 2 journal November 2018
Fragment-Based Design of NbRuB as a New Metal-Rich Boride Superconductor journal February 2015
Toward Reaction-by-Design: Achieving Kinetic Control of Solid State Chemistry with Metathesis journal January 2017
Magnetic properties of single crystalline itinerant ferromagnet AlFe 2 B 2 journal August 2018
Dr. Probe: A software for high-resolution STEM image simulation journal October 2018
Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets journal May 2021
High-resolution X-ray luminescence extension imaging journal February 2021
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect journal February 2020
“Design” in Chemical Synthesis — An Illusion? journal August 2006
Structure, Transport and Magnetic Properties of MgNi3B2. journal April 2007
Isotope Effect on Electron-Phonon Interaction in Multiband Superconductor MgB2 text January 2016

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