Neutron powder diffraction and first-principles computational studies of CuLixMg2-x (x≅0.08), CuMg2, and Cu2Mg

Journal of Solid State Chemistry

Volumn 183, Issue 1, 2010, Pages 10-19

  Braga, M H ^a,b   Ferreira, J J A ^c   Siewenie, J ^a   Proffen, Th ^a   Vogel, S C ^a   Daemen, L L ^a  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF COIMBRA   (Portugal)

^c LABORATÓRIO NACIONAL DE ENERGIA E GEOLOGIA   (Portugal)

Author keywords

Cu Li Mg; First principles calculations; Neutron diffraction; Pair distribution function; Rietveld refinement; X ray diffraction

Indexed keywords

ATOMIC POSITIONS; COMPUTATIONAL STUDIES; CU-LI-MG; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; INTERSTITIAL SPACE; LI CONTENT; NEUTRON DIFFRACTION DATA; NEUTRON POWDER DIFFRACTOMETER; ORTHORHOMBIC STRUCTURES; PAIR DISTRIBUTION FUNCTIONS; RIETVELD; ROOM TEMPERATURE; TERNARY PHASE;

DIFFRACTOMETERS; NEUTRON DIFFRACTION; NEUTRONS; RIETVELD METHOD; RIETVELD REFINEMENT; X RAY DIFFRACTION;

DISTRIBUTION FUNCTIONS;

EID: 73149108837     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2009.09.010     Document Type: Article

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