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2digua木蟲 (正式寫手)
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鐵桿木蟲 (正式寫手)

鐵桿木蟲 (正式寫手)
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COMM 2digua ! Current global Chi2 (Bragg contrib.) = 1.921 ! Files => DAT-file: r.dat, PCR-file: r !Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor Opt Aut 0 7 2 -3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 ! !Ipr Ppl Ioc Mat Pcr Ls1 Ls2 Ls3 NLI Prf Ins Rpa Sym Hkl Fou Sho Ana 0 0 1 0 1 0 4 0 0 3 0 0 0 0 0 0 0 ! ! Lambda1 Lambda2 Ratio Bkpos Wdt Cthm muR AsyLim Rpolarz 2nd-muR -> Patt# 1 1.540560 1.544390 0.50000 40.000 8.0000 0.7998 0.0000 40.00 0.0000 0.0000 ! !NCY Eps R_at R_an R_pr R_gl Thmin Step Thmax PSD Sent0 150 0.10 0.30 0.30 0.30 0.30 10.0000 0.020000 120.0000 0.000 0.000 ! ! 29 !Number of refined parameters ! ! Zero Code SyCos Code SySin Code Lambda Code MORE ->Patt# 1 0.24109 41.0 0.00000 0.0 0.00000 0.0 0.000000 0.00 1 ! ! Microabsorption coefficients for Pattern# 1 ! P0 Cod_P0 Cp Cod_Cp Tau Cod_Tau 0.0000 0.00 1.7561 0.00 0.0555 21.00 ! Background coefficients/codes for Pattern# 1 (Polynomial of 9th degree + terms 1/T, 1/T^2, and 1/T^3) 205.568 -42.035 18.635 0.000 0.000 0.000 51.00 61.00 71.00 0.00 0.00 0.00 0.000 0.000 0.000 0.000 -13850.783 207883.906 0.00 0.00 0.00 0.00 81.00 91.00 !------------------------------------------------------------------------------- ! Data for PHASE number: 1 ==> Current R_Bragg for Pattern# 1: 5.04 !------------------------------------------------------------------------------- Crystallographic studies of perovskite-like compounds. I. Rare earth ! !Nat Dis Ang Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth ATZ Nvk Npr More 4 0 0 0.0 0.0 1.0 0 0 0 0 0 637.901 0 7 1 ! !Jvi Jdi Hel Sol Mom Ter Brind RMua RMub RMuc Jtyp Nsp_Ref Ph_Shift N_Domains 0 3 0 0 0 0 1.0000 0.0000 0.0000 0.0000 0 0 0 0 ! ! Max_dst(dist) (angles) Bond-Valence Calc. 3.5000 180.0000 BVS ! N_cations N_anions Tolerance(%) / Name or cations/ and Anions 2 1 10.00 Y3+ Cr3+ O2- ! P b n m <--Space group symbol !Atom Typ X Y Z Biso Occ In Fin N_t Spc /Codes O2 O 0.69753 0.31291 0.05192 0.43325 1.00000 0 0 0 3 231.00 241.00 251.00 280.30 0.00 Y1 Y 0.98214 0.07302 0.25000 0.56991 0.50000 0 0 0 1 191.00 201.00 0.00 270.30 0.00 Cr1 Cr 0.00000 0.50000 0.00000 0.68991 0.50000 0 0 0 2 0.00 0.00 0.00 270.30 0.00 O1 O 0.11041 0.46689 0.25000 0.43325 0.50000 0 0 0 3 211.00 221.00 0.00 280.30 0.00 !-------> Profile Parameters for Pattern # 1 ! Scale Shape1 Bov Str1 Str2 Str3 Strain-Model 0.14962E-02 0.00000 0.00000 0.00000 0.00000 0.00000 0 11.00000 0.000 0.000 0.000 0.000 0.000 ! U V W X Y GauSiz LorSiz Size-Model 0.025946 -0.022916 0.013524 0.000000 0.054268 -0.000001 0.000000 0 101.000 111.000 121.000 0.000 131.000 0.000 0.000 ! a b c alpha beta gamma #Cell Info 5.255432 5.647014 7.474926 90.000000 90.000000 90.000000 161.00000 171.00000 181.00000 0.00000 0.00000 0.00000 ! Pref1 Pref2 Asy1 Asy2 Asy3 Asy4 S_L D_L 0.97689 0.00000 -0.02019 0.03844 0.00000 0.00000 0.00000 0.00000 291.00 0.00 141.00 151.00 0.00 0.00 0.00 0.00 !------------------------------------------------------------------------------- ! Data for PHASE number: 2 ==> Current R_Bragg for Pattern# 1: 36.02 !------------------------------------------------------------------------------- Y2 O3 ! !Nat Dis Ang Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth ATZ Nvk Npr More 3 0 0 0.0 0.0 1.0 0 0 0 0 0 3612.974 0 7 0 ! I a -3 <--Space group symbol !Atom Typ X Y Z Biso Occ In Fin N_t Spc /Codes O1 O 0.39056 0.15163 0.38041 0.43325 1.00000 0 0 0 0 0.00 0.00 0.00 280.30 0.00 Y1 Y 0.96832 0.00000 0.25000 0.56991 0.50000 0 0 0 0 0.00 0.00 0.00 270.30 0.00 Y2 Y 0.25000 0.25000 0.25000 0.68991 0.16667 0 0 0 0 0.00 0.00 0.00 270.30 0.00 !-------> Profile Parameters for Pattern # 1 ! Scale Shape1 Bov Str1 Str2 Str3 Strain-Model 0.55454E-06 0.00000 0.00000 0.00000 0.00000 0.00000 0 31.00000 0.000 0.000 0.000 0.000 0.000 ! U V W X Y GauSiz LorSiz Size-Model 0.025946 -0.022916 0.013524 0.000000 0.054268 -0.000001 0.000000 0 101.000 111.000 121.000 0.000 131.000 0.000 0.000 ! a b c alpha beta gamma #Cell Info 10.613055 10.613055 10.613055 90.000000 90.000000 90.000000 261.00000 261.00000 261.00000 0.00000 0.00000 0.00000 ! Pref1 Pref2 Asy1 Asy2 Asy3 Asy4 S_L D_L 1.00000 0.00000 -0.02019 0.03844 0.00000 0.00000 0.00000 0.00000 0.00 0.00 141.00 151.00 0.00 0.00 0.00 0.00 ! 2Th1/TOF1 2Th2/TOF2 Pattern # 1 10.000 120.000 1 |

鐵桿木蟲 (正式寫手)

鐵桿木蟲 (正式寫手)

鐵桿木蟲 (知名作家)
鐵桿木蟲 (正式寫手)

鐵桿木蟲 (知名作家)
鐵桿木蟲 (知名作家)
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