title: Theoretical study of EPR spectra for Mn2+ ion in [Mg(H2O)6]SnCl6 single crystal.
abstract: The relationship between the impurity structures and the electron paramagnetic resonance (EPR) parameters D, (a-F) have been studied by diagonalizing the complete energy matrices for Mn2+ ion in [Mg(H2O)6]SnCl6 single crystal in a trigonal ligand field within a weak-field-representation. It is shown that the local lattice structure around Mn2+ ion in [Mg(H2O)6]SnCl6 exhibits an elongation distortion which is different at 290 K and 77 K. The local structure parameters R=2.223+/-0.027A, theta=52.966+/-0.004 degrees and R=2.205+/-0.030A, theta=53.155+/-0.047 degrees for Mn2+ ion in [Mg(H2O)6]SnCl6 are determined at different temperatures 290 K and 77 K, respectively, and EPR parameters D and (a-F) can also get a satisfactory explanation simultaneously.
authors.affiliation: Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China.
authors.forename: Ai-Jie
authors.initials: AJ
authors.lastname: Mao
authors.forename: Xiao-Yu
authors.initials: XY
authors.lastname: Kuang
authors.forename: Xiao-Ming
authors.initials: XM
authors.lastname: Tan
authors.forename: Hui
authors.initials: H
authors.lastname: Wang
authors.forename: Ju-Fen
authors.initials: JF
authors.lastname: Li
mesh_terms: D002413:Cations, Divalent; D003460:Crystallization; D004578:Electron Spin Resonance Spectroscopy; D008024:Ligands; D017616:Magnesium Compounds / Q000737:chemistry*; D008345:Manganese / Q000737:chemistry*; D008962:Models, Theoretical; D013696:Temperature; D017971:Tin Compounds / Q000737:chemistry*
chemical_list: D002413:Cations, Divalent; D008024:Ligands; D017616:Magnesium Compounds; D017971:Tin Compounds; D008345:Manganese