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Crystal structure of lithium magnesium phosphate,LiMgPO4: Crystal chemistry of the olivine-type compounds
Authors:F Hanic  M Handlović  K Burdová  J Majling
Institution:(1) Institute of Inorganic Chemistry, Slovak Academy of Sciences, 842 36 Bratislava 9, Dúbravská cesta, Czechoslovakia;(2) Plastics Processing and Application Research Institute, 950 37 Nitra, Novozámecká Cesta, Czechoslovakia;(3) Department of Chemical Technology of Silicates Faculty of Chemical Technology, Slovak Technical University, 800 00 Jánska 1, Bratislava, Czechoslovakia
Abstract:LiMgPO4 is orthorhombic, space groupPnma,a=10.147(2),b=5.909(2),c=4.692(2)×10–10 m,D m =3000(8),D x =2980 kg m–3,Z=4,R=4.8% for 1262 observed reflections. The structure contains tetrahedral PO4 and octahedral LiO6 and MgO6 groups. It belongs to the ordered olivine-type structures, since the inversion site is occupied by Li+ ions and the mirror site is taken by Mg2+ ions. The distortion of polyhedra is caused mainly by the adjustment stresses between the different polyhedral dimensions and by the sharing of edges. Octahedral LiO6 share six and MgO6 share three common edges. The sharing of the O-O edges contributes to the stability of the bridging arrangements. The corresponding average distances of the O-O bridges are 2.432, 2.479, 2.883, and 3.028×10–10 m, while the average O-O distances in the PO4, MgO6, and LiO4 polyhedra are 2.512,2.921, and 3.015 × 10–10 m, close to the ideal values 2.531, 2.970, and 3.026×10–10 m respectively. The structure field of the olivine-type compounds plotted as a function of ionic radii in radius space is specified in relation to thebeta-K2SO4, spinel, and K4NiF4 type structures. From the overlap of the structure fields, the high-pressure transformations of the olivine compounds are considered.
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