*data for ICSD #154067 Coll Code 154067 Rec Date 2007/04/01 Chem Name Lithium Nickel Manganese(IV) Oxide (1.2/0.2/0.6/2) Structured Li (Ni0.2 Li0.2 Mn0.6) O2 Sum Li1.2 Mn0.6 Ni0.2 O2 ANX ABX2 D(calc) 4.19 Title Charge/discharge behavior of Li (Ni0.20 Li0.20 Mn0.60) O2 and Li (Co0.20 Li0.27 Mn0.53) O2 cathode materials in lithium secondary batteries Author(s) Hong Young-Sik;Park Yong Joon;Ryu Kwang Sun;Chang Soon Ho Reference Solid State Ionics (2005), 176, 1035-1042 Unit Cell 2.8611(2) 2.8611(2) 14.273(1) 90. 90. 120. Vol 101.18 Z 3 Space Group R -3 m H SG Number 166 Cryst Sys trigonal/rhombohedral Pearson hR4 Wyckoff c b a R Value .0425 Red Cell RH 2.861 2.861 5.036 73.497 73.497 60 33.728 Trans Red 1.000 0.000 0.000 / 1.000 1.000 0.000 / 0.667 0.333 0.333 Comments Cell parameters for Li (Co0.2 Li0.27 Mn0.53) O2: a= 2.8405(2), c= 14.228(1), z-coordinate of O not given. Rietveld profile refinement applied Structure type : NaCrS2 X-ray diffraction (powder) Atom # OX SITE x y z SOF H Li 1 +1 3 a 0. 0. 0. 0.983(3) 0 Ni 1 +2 3 a 0. 0. 0. 0.017(3) 0 Li 2 +1 3 b 0. 0. 0.5 0.217(3) 0 Ni 2 +2 3 b 0. 0. 0.5 0.183(3) 0 Mn 1 +4 3 b 0. 0. 0.5 0.6 0 O 1 -2 6 c 0. 0. 0.2408(3) 1. 0 *end for ICSD #154067