Match! Phase Analysis Report ‘Sample: 100 ¢ ‘Sample Data File name 100 cot File path CJUsers/PC 6/Documents Data collected dan 7.2021 13:14:08, Data range 18.150° -75.130° Original data range 415.0109 75.900° Number of points 3050 Step size 0.020 Rietveld refinement converged No Apha2 suptacted No Background subtr. No Data smoothed No 2theta correction ona Radiation Xrays Wavelength 1 At874 A Matched Phases Index Amount (%4) Name Formula sum A 1000 Li0.16 (Nio.7 Fe0.15 Co0.15)1.03 02 (C00. 1845 Fe0.1545.Li0.16 Ni0.721 02 352 _Unientfied peak area Amounts calculated by RIR (Reference Intensity Ratio) method Elemental composition of sample (identified eryetallino phases only) Element Amount (weight %) Ni 183.41% ° +400.00% LE (sum) 10.00% Matching entry details A: Li0.16 (Ni0.7 Fe0.15 C00.15)1.03 (02(100.0 %)" Formula eum (00.1545 Fe0.1545 Li0.16 NO.721 02 Entry number 196-152-6297 Figure-of-Merit (FoM) o.so7e28" Total number of peaks 44 Peaks in range 4 Peaks matched 9 Intensity scale factor ost" ‘Space group R-3m Crystal system trigonal (hexagonal axes) Unt cet a= 28159 Ac= 14.2703, We a7, Calc. density 4747 glen? Reference PradoG.,. Fournes L., Delmas C., "On the Lix Ni0.70 Fe0.15 Co0.15 02 system: an X-ray diffraction andMossbauer study’, Journal of Solid State Chemistry 159, 103-112 (2001) theta values have been shited internally forthe celculation of the amounts, the intensity scaling factors as well as the fgure-of-merit (Fol), due to the active search-match opton ‘Automatic zero point adaption’ Search-Match Settings Reference database used COD-norg REV254652:2020.07.29 ‘Automatic zeropoint adapiation Yes Downgrade entries with low scaling factorsYes Minimum figure-of-mert (FoM) 060 2theta window for peak corr. 0.30 dea, Minimum rel. int. for peak com. 0 Parameterfinfluence 2theta 050 Parameter/nfluence intensities 050 Parametor multplo/single phaco( Selection Criteria Elements: Elements that must be present: 0, F2, Co Elements that may be present: _All elements not mentioned above Peak ListNo. = 2theta ["] a fA} 10) = FWHM = Matched” 1 4593-55420 e733 .0400 2 1665 53246 © 138.300.0800 34708 82008. ««176.37 0.0400 4 1747-81685 187.15 0.0400 5 1753 Sose2 185.46 0.0800 6 1789 © 4958217042 0.0400 7 18134931 191.100.0400 8 fast 4793517017 0.0800 9 1a67 47528 «= 20637 0.0800 10 1915 4634720526 0.0800 ti 194745500 411.92 0.1600 12 985 44720 «160.67 0.1200 13-2017 44028 «31361 0.1200 4 2049 «43348 «320.51 0.1000 15.24.48 42008 «= et.87 0.0800 16 ©2451 41313, 121.990.0800 17 het 41124 108.770.0800 18-2213, 40169 «12871 0.0800 19-2249 «3953 ©7672 0.0800 2 2407 «36974 105.400.0400 21 24.25 e702 «72.99 0.0400 2 2485-36262 ©8601 0.0400 2 282331013 e714 0.0400 24 = 2041 30371 13279 0.0400 2 ©5177 Bates © 18058 © 0.0400 2% = 3421 -2e2m1 306.320.2800 2 ©3625 247@2 ©=—« 7251 ——0.0800 2 = 3671 -2ase? = 420.04 0.1600 2 ©3733-2089 © 1000.00 02400 A 20 bast © 22978 © 10629 © 0.2000 31387923215 © 28250 0.1200 323903 2304 © S258 ©0400 33-3029 «22031-36879 0.2400 34 ©4003-2252 © 183.000.2000 35 «4033-2236 © 185.610.1600 34497-2015 «180.960.1200 A ar 4541 997227528 0.0800 384573 t9e41 12257 0.0800 304621 tea «= 72.08 0.0400 40 4941184459583 0.1200 A 41 4909189487847 0.1200 42 500118239 107.930.0400 43 506918010 «108.74 0.0800 44 508517957 101.380.1200 4 5121 «17839 © 86108-02800 4% © 5149-17749 «73.27 0.0800 47 5191-17615 90.02—0.0400 42 5622 16360 © 72.03 0.0400 49 ©5967 15495 102.69 0.0400 50 60.01 «15418 © 196.34 0.1600 Si 65.27 «14208 «=— 77589 (0.0400 526583 14te7 «= 349.65. 0.2400 53 66.01-«14153«=«27881 0.0400 Integrated Profile Areas ‘Based on calculated profile Profile area Counts Amount Overall difraction profile audi? to000% Background radiation 26135 63.10% Difraction peaks 45282 36.90% Peak area belonging to selected phases 686 186% Peak area of phase A (10.16 (NIO.7 Fe0.15 C00.15)1.03 02) 686 166% Unidentified peak area 14596 35.24% Peak Residuals Peak data Counts, Amount (Overall peak intensity 117 100.0% Peak intensily belonging to selected phases a2 70.26% Unidentified peak intensity 35 29.84% Diffraction Pattern GraphicsIre 3 Cake. (exp. peaks) (Rp-20.5 %) 7} Co0.1545 Fe0.1545 110.16 NO.721 02 L016 (NLT Fe0.15.Co0.15)1.03 02 (109.0%) essseeessseses78 228 DO it Hi I {" i wh | | i 2000-2500 30.00 00 45.00 © 50.00 55.00 ©6000» B00 7000 © 75.00 (Cuka (1.541874) neta Match! Copyright © 2003-2020 CRYSTAL IMPACT, Bonn, Germany