STRUCTURE OF LITHIUM NICKEL PHOSPHATE

LiNiPO4, M(r) = 160.60, orthorhombic, Pnma, a = 10.0317 (1), b = 5.8539 (1), c = 4.6768 (1) angstrom, V = 274.65 (1) angstrom3, Z = 4, D(x) = 3.884 g cm-3, F(000) = 312, lambda(Cu Kalpha1) = 1.54056 angstrom, mu = 144.36 cm-1, R(wp) = 11.15%, R(ex) = 9.25 %, chi2 = 1.47 for 31 basic variables with 3699 observations corresponding to 128 reflections. The structure of the title compound has been refined by Rietveld analysis of X-ray powder diffraction data. LiNiPO4 adopts an olivine-related structure, viz. hexagonal close packed oxygen with Li and Ni in half the octahedral sites and P in 1/8 of the tetrahedral sites. The X-ray powder diffraction pattern of lithium nickel phosphate has appeared previously as JCPDS file No. 32-578.