File 1 : H:\instruments-archive\XRD-current\Austin\MCTeCO\ML_McNulty_20240116_3_AMF-KCTeCO_T81_dried+Si_std_2hr_last_check.raw
Range Number :  1

R-Values 

Rexp : 1.11    Rwp : 2.41     Rp  : 1.55   GOF : 2.17
Rexp`: 6.07    Rwp`: 13.17    Rp` : 15.87  DW  : 0.87

Quantitative Analysis - Rietveld 
   Phase 1  : Structure                      65.9(5) %
   Phase 2  : Structure                      34.1(5) %

Background 
   Chebychev polynomial, Coefficient  0      7492(5)
                                      1      -3165(8)
                                      2      495(8)
                                      3      213(8)
                                      4      171(7)
                                      5      -497(7)
                                      6      353(7)
                                      7      -75(6)
                                      8      -83(6)

Instrument 
   Primary radius (mm)                       200.5
   Secondary radius (mm)                     200.5
   Linear PSD 2Th angular range (°)          3
      FDS angle (°)                          0.6

Corrections 
   Specimen displacement                     0.044(2)
   LP Factor                                 0

Miscellaneous 
   Convolution Steps                         3
   Start X                                   12
   Finish X                                  60

Structure 1 
   Phase name                                Structure
   R-Bragg                                   0.649
   Spacegroup                                C2/c
   Scale                                       0.000156(3)
   Cell Mass                                 2477(4)
   Cell Volume (Ã…^3)                         758.02(4)
   Wt% - Rietveld                            65.9(5)
   Double-Voigt|Approach 
      Cry size Lorentzian                    113.1(14)
      k:  1  LVol-IB (nm)                    72.0(9)
      k:  0.89  LVol-FWHM (nm)               100.6(12)
   Crystal Linear Absorption Coeff. (1/cm)   1225.03(9)
   Crystal Density (g/cm^3)                  5.427(8)
   Preferred Orientation Spherical Harmonics 
      Order                                  4
      y00                                    1
      y20                                    -0.20(3)
      y22m                                   -0.67(4)
      y22p                                   0.086(8)
      y40                                    -0.073(19)
      y42m                                   -0.05(2)
      y42p                                   0.053(7)
      y44m                                   -0.059(11)
      y44p                                   -0.37(3)
   Lattice parameters
      a (Ã…)                                  12.6780(4)
      b (Ã…)                                  5.20807(14)
      c (Ã…)                                  11.6236(3)
      beta  (°)                              99.006(2)

Site  Np    x           y           z         Atom Occ       Beq  
Co1    8   0.2704(6)  0.3078(18)  0.1478(7)   Co   0.980(11) 1.3(3)
Te1    4   0.50000    0.6526(8)   0.25000     Te   1.000(8)  1.1(2)
Te2    8   0.3625(3)  0.3087(6)   0.4435(4)   Te   0.991(9)  1.55(18)
O1     8   0.419(2)   0.449(6)    0.148(3)    O    0.94(2)   1.2(10)
O2     8   0.377(2)   0.612(5)    0.360(3)    O    1.00(3)   0.9(10)
O3     8   0.2954(19) 0.144(6)    0.318(3)    O    0.94(3)   1.6(10)
O4     8   0.249(2)   0.458(5)    0.473(3)    O    0.97(3)   2.0(11)


Structure 2 
   Phase name                                Structure
   R-Bragg                                   1.027
   Spacegroup                                Fd-3m
   Scale                                       0.00421(4)
   Cell Mass                                 224.684
   Cell Volume (Ã…^3)                         160.14989
   Wt% - Rietveld                            34.1(5)
   Double-Voigt|Approach 
      Cry size Lorentzian                    1100(200)
      Cry size Gaussian                      350(30)
      k:  1  LVol-IB (nm)                    250(20)
      k:  0.89  LVol-FWHM (nm)               260(20)
   Crystal Linear Absorption Coeff. (1/cm)   148.024
   Crystal Density (g/cm^3)                  2.330
   Preferred Orientation Spherical Harmonics 
      Order                                  4
      k00                                    1
      k41                                    -0.14(2)
   Lattice parameters
      a (Ã…)                                  5.4305300

Site  Np    x           y           z         Atom Occ       Beq  
Si1    8   0.00000    0.00000     0.00000     Si   1         2.9(5)