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Ab initio periodic Hartree-Fock study of lizardite 1T
Ab Hartree-Fock lizardite 1T
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2012/4/9
Aperiodic ab initio Hartree-Fock LCAO study wasperformed on the 1:1 sheet silicate lizardite, Mg3SiP,(OH)4, which has P31m symmetry. Atotal of 258 atomic orbitals were described using double-zeta-qual...
Hydrogen positions and thermal expansion in lizardite-1T from Elba: A low-temperature study using Rietveld refinement of neutron diffraction data
Hydrogen positions thermal expansion lizardite-1T Elba low-temperature study neutron diffraction data
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2012/4/6
Thestructure oflizardite-l Tfrom MonteFico,Elba,wasrefined in spacegroupP31m usingneutron diffractiondata, measuredat 8, 150,and 294K,and full-profile Rietveld
refinement techniques. Thelattice param...