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ÎÒ¾õµÃÊÇÕâ¸ö£¬ÄãÐÞ¸ÄÒ»ÏÂÕ¼ÓÐÂʾͿÉÒÔÁË¡£ *data for ICSD #90113 Coll Code 90113 Rec Date 2002/04/01 Chem Name Sodium Nickel Manganese Oxide (0.58/0.333/0.667/1.95) - P2 Structured Na0.58 (Ni0.333 Mn0.667) O1.95 Sum Mn0.667 Na0.58 Ni0.333 O1.95 ANX AB2X4 D(calc) 4.16 Title Layered T2-, O6-, O2-, and P2-type A2/3 (M'(2+)1/3 M(4+)2/3) O2 bronzes, A = Li, Na; M' = Ni, Mg; M = Mn, Ti Author(s) Paulsen, J.M.;Donaberger, R.A.;Dahn, J.R. Reference Chemistry of Materials (1,1989- (2000), 12, 2257-2267 Unit Cell 2.885 2.885 11.155 90. 90. 120. Vol 80.41 Z 2 Space Group P 63/m m c SG Number 194 Cryst Sys hexagonal Pearson hP7 Wyckoff f d b a R Value .054 Red Cell P 2.885 2.885 11.155 90 90 120 80.407 Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000 Comments Total SOF on at least one site differs from unity (SOF < 0.997 resp. SOF > 1.003) The structure has been assigned a PDF number (calculated powder diffraction data): 01-070-3726 Rietveld profile refinement applied Structure type : NaCo2O4 X-ray diffraction (powder) At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H Ni 1 +2 2 a 0 0 0 0.333 0 Mn 1 +4 2 a 0 0 0 0.667 0 O 1 -2 4 f 0.6667 0.3333 0.094 0.975 0 Na 1 +1 2 b 0 0 0.25 0.23 0 Na 2 +1 2 d 0.6667 0.3333 0.25 0.35 0 *end for ICSD #90113 |
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