COMM Ho2Cu2O5 D1B-1.5K (Phys.Rev.B Rapid Comm. 44,4716(1991)) ! Files => DAT-file: Hocu, PCR-file: Hocu !Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor 1 5 2 21 2 0 0 0 1 0 1 0 0 0 0 0 0 ! !Ipr Ppl Ioc Mat Pcr Ls1 Ls2 Ls3 Syo Prf Ins Rpa Sym Hkl Fou Sho Ana 0 0 1 0 1 0 0 0 0 1 3 1 0 0 0 0 0 ! ! lambda1 Lambda2 Ratio Bkpos Wdt Cthm muR AsyLim Rpolarz 2.524000 2.524000 1.0000 9.0000 3.5000 0.0000 0.1500 30.00 0.0000 ! !NCY Eps R_at R_an R_pr R_gl Thmin Step Thmax PSD Sent0 8 0.20 0.99 0.99 0.99 0.99 8.0000 0.2000 87.8000 0.000 0.000 ! ! 2Theta/TOF Background 8.330 4635.000 10.490 4329.000 12.990 4023.000 15.310 3892.000 17.480 3804.000 20.970 3761.000 24.040 4026.000 26.100 4508.000 29.010 4069.000 30.530 3848.000 32.520 3936.000 37.340 3848.000 38.760 3761.000 40.340 3761.000 49.650 3979.000 59.700 3717.000 62.860 3717.000 70.510 3892.000 74.500 4067.000 87.720 3804.000 87.800 3804.000 ! ! Excluded regions (LowT HighT) 0.01 8.00 87.80 180.00 ! ! 9 !Number of refined parameters ! ! Zero Code Sycos Code Sysin Code Lambda Code MORE 0.0292 21.00 0.0000 0.00 0.0000 0.00 0.000000 0.00 0 !------------------------------------------------------------------------------- ! Data for PHASE number: 1 ==> Current R_Bragg: 6.45 !------------------------------------------------------------------------------- Ho2Cu2O5 ! !Nat Dis Mom Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth ATZ Nvk Npr More 9 0 0 0.0 0.0 1.0 0 0 0 0 0 0.00 0 5 0 ! P n a 21 <--Space group symbol !Atom Typ X Y Z Biso Occ In Fin N_t /Codes HO1 HO 0.20673 0.23401 0.00000 0.00000 1.00000 0 0 0 1.00 1.00 0.00 1.00 0.00 HO2 HO 0.04093 0.23433 0.32767 0.00000 1.00000 0 0 0 1.00 1.00 1.00 1.00 0.00 CU1 CU 0.99015 0.64974 0.11781 0.00000 1.00000 0 0 0 1.00 1.00 1.00 1.00 0.00 CU2 CU 0.26038 0.67593 0.22151 0.00000 1.00000 0 0 0 1.00 1.00 1.00 1.00 0.00 O1 O 0.17554 0.72142 0.35528 0.00000 1.00000 0 0 0 1.00 1.00 1.00 1.00 0.00 O2 O 0.32558 0.73801 0.06154 0.00000 1.00000 0 0 0 1.00 1.00 1.00 1.00 0.00 O3 O 0.12379 0.31477 0.17225 0.00000 1.00000 0 0 0 1.00 1.00 1.00 1.00 0.00 O4 O 0.43043 0.76706 0.25901 0.00000 1.00000 0 0 0 1.00 1.00 1.00 1.00 0.00 O5 O 0.42370 0.23819 0.47305 0.00000 1.00000 0 0 0 1.00 1.00 1.00 1.00 0.00 ! Scale Shape1 Bov Str1 Str2 Str3 Strain-Model 9.6176 0.0911 0.1340 0.0000 0.0000 0.0000 0 11.00000 0.00 0.00 0.00 0.00 0.00 ! U V W X Y GauSiz LorSiz Size-Model 1.16102 -0.65824 0.29625 0.00000 0.00000 0.00000 0.00000 0 0.00 0.00 0.00 0.00 0.00 0.00 0.00 ! a b c alpha beta gamma 10.788306 3.489850 12.416677 90.000000 90.000000 90.000000 31.00000 41.00000 51.00000 0.00000 0.00000 0.00000 ! Pref1 Pref2 Asy1 Asy2 Asy3 Asy4 0.00000 0.00000 0.00893 0.00000 0.00000 0.00000 0.00 0.00 1.00 0.00 0.00 0.00 !------------------------------------------------------------------------------- ! Data for PHASE number: 2 ==> Current R_Bragg: 3.63 !------------------------------------------------------------------------------- HO2CU2O5(magnetic reflections) ! !Nat Dis Mom Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth ATZ Nvk Npr More 4 0 0 0.0 1.0 1.0 1 -1 -1 0 0 0.00 1 5 1 ! !Jvi Jdi Hel Sol Mom Ter Brind RMua RMub RMuc Jtyp 0 1 0 0 0 0 1.0000 0.0000 0.0000 0.0000 1 ! P -1 <--Space group symbol !Nsym Cen Laue MagMat 4 1 3 2 SYMM x,y,z MSYM u,v,w,0.0 MSYM u,v,w,0.0 SYMM -x+1,-y+1,z+1/2 MSYM -u,-v,w,0.0 MSYM -u,v,w,0.0 SYMM -x+1/2,y+1/2,z+1/2 MSYM u,-v,-w,0.0 MSYM u,v,w,0.0 SYMM x+1/2,-y+1/2,z MSYM -u,v,-w,0.0 MSYM -u,v,w,0.0 ! !Atom Typ Mag Vek X Y Z Biso Occ Rx Ry Rz ! Ix Iy Iz beta11 beta22 beta33 MagPh Ho1 JHO3 1 0 0.20673 0.23401 0.00000 0.00000 1.00000 -4.176 1.006 7.591 1.00 0.50 0.00 1.00 0.00 61.00 71.00 81.00 0.000 0.000 0.000 0.000 0.000 0.000 0.00000 0.00 0.00 0.00 0.00 0.00 0.00 0.00 Ho2 JHO3 1 0 0.04093 0.23433 0.32767 0.00000 1.00000 -4.176 -1.006 7.591 1.00 0.50 1.00 1.00 0.00 61.00 -71.00 81.00 0.000 0.000 0.000 0.000 0.000 0.000 0.00000 0.00 0.00 0.00 0.00 0.00 0.00 0.00 Cu1 MCU2 2 0 0.99015 0.64974 0.11781 0.00000 1.00000 -0.751 0.000 0.000 1.00 0.50 1.00 1.00 0.00 91.00 1.00 1.00 0.000 0.000 0.000 0.000 0.000 0.000 0.00000 0.00 0.00 0.00 0.00 0.00 0.00 0.00 Cu2 MCU2 2 0 0.26038 0.67593 0.22151 0.00000 1.00000 -0.751 0.000 0.000 1.00 0.50 1.00 1.00 0.00 91.00 1.00 1.00 0.000 0.000 0.000 0.000 0.000 0.000 0.00000 0.00 0.00 0.00 0.00 0.00 0.00 0.00 ! Scale Shape1 Bov Str1 Str2 Str3 Strain-Model 9.6176 0.0911 0.1340 0.0000 0.0000 0.0000 0 11.00000 0.00 0.00 0.00 0.00 0.00 ! U V W X Y GauSiz LorSiz Size-Model 1.16102 -0.65824 0.29625 0.00000 0.00000 0.00000 0.00000 0 0.00 0.00 0.00 0.00 0.00 0.00 0.00 ! a b c alpha beta gamma 10.788306 3.489850 12.416677 90.000000 90.000000 90.000000 31.00000 41.00000 51.00000 0.00000 0.00000 0.00000 ! Pref1 Pref2 Asy1 Asy2 Asy3 Asy4 0.00000 0.00000 0.00893 0.00000 0.00000 0.00000 0.00 0.00 1.00 0.00 0.00 0.00 ! Propagation vectors: 0.0000000 0.5000000 0.0000000 Propagation Vector 1 0.000000 0.000000 0.000000