File 1 : H:\instruments-archive\XRD-current\Austin\MCTeCO\ML_McNulty_20240116_2_AMF-NCTeCO_T26_dried+Si_std_2hr_last_check.raw
Range Number :  1

R-Values 

Rexp : 1.09    Rwp : 1.97     Rp  : 1.39   GOF : 1.80
Rexp`: 6.15    Rwp`: 11.06    Rp` : 14.30  DW  : 0.83

Quantitative Analysis - Rietveld 
   Phase 1  : Structure                      0(3000000) %
   Phase 2  : Structure                      0(3000000) %

Background 
   Chebychev polynomial, Coefficient  0      7717(4)
                                      1      -3557(7)
                                      2      571(7)
                                      3      206(6)
                                      4      146(6)
                                      5      -466(6)
                                      6      323(6)
                                      7      -59(5)
                                      8      -97(5)

Instrument 
   Primary radius (mm)                       200.5
   Secondary radius (mm)                     200.5
   Linear PSD 2Th angular range (°)          3
      FDS angle (°)                          0.6
   Additional convolutions
      Lorentzian, Tan(Th)                    0.04(4)

Corrections 
   Specimen displacement                     0.116(2)
   LP Factor                                 0

Miscellaneous 
   Convolution Steps                         3
   Start X                                   12
   Finish X                                  60

Structure 1 
   Phase name                                Structure
   R-Bragg                                   0.613
   Spacegroup                                C2/c
   Scale                                       0.000192(3)
   Cell Mass                                 2459(3)
   Cell Volume (Ã…^3)                         758.12(4)
   Wt% - Rietveld                            0(3000000)
   Double-Voigt|Approach 
      Cry size Lorentzian                    90(2)
      k:  1  LVol-IB (nm)                    58(2)
      k:  0.89  LVol-FWHM (nm)               80(3)
   Strain 
      Strain L                               0.030(8)
      e0                                     0.00007(12)
   Crystal Linear Absorption Coeff. (1/cm)   1219.72(8)
   Crystal Density (g/cm^3)                  5.387(7)
   Preferred Orientation Spherical Harmonics 
      Order                                  4
      y00                                    1
      y20                                    -0.33(2)
      y22m                                   -0.98(3)
      y22p                                   0.124(6)
      y40                                    -0.061(14)
      y42m                                   -0.022(17)
      y42p                                   0.064(5)
      y44m                                   -0.094(8)
      y44p                                   -0.538(18)
   Lattice parameters
      a (Ã…)                                  12.6773(4)
      b (Ã…)                                  5.20832(16)
      c (Ã…)                                  11.6248(4)
      beta  (°)                              98.995(3)

Site  Np    x           y           z         Atom Occ       Beq  
Co1    8   0.2722(6)  -0.6839(17) 0.1477(6)   Co   0.966(10) 1.5(3)
Te1    4   0.50000    0.6528(8)   0.25000     Te   1.000(7)  1.2(2)
Te2    8   0.3617(3)  0.3088(5)   0.4435(4)   Te   0.990(8)  1.71(16)
O1     8   0.4176(19) 0.461(5)    0.154(2)    O    0.88(2)   2.0(10)
O2     8   0.373(2)   1.609(5)    0.354(3)    O    1.00(3)   1.6(9)
O3     8   0.2936(18) -0.849(6)   0.323(2)    O    0.93(3)   1.2(9)
O4     8   0.254(2)   0.437(5)    0.470(2)    O    0.96(3)   2.0(10)


Structure 2 
   Phase name                                Structure
   R-Bragg                                   0.261
   Spacegroup                                Fd-3m
   Scale                                       0(400)
   Cell Mass                                 224.684
   Cell Volume (Ã…^3)                         160.14989
   Wt% - Rietveld                            0(3000000)
   Double-Voigt|Approach 
      Cry size Lorentzian                    2400(700)
      k:  1  LVol-IB (nm)                    1500(800)
      k:  0.89  LVol-FWHM (nm)               2100(1600)
   Crystal Linear Absorption Coeff. (1/cm)   148.024
   Crystal Density (g/cm^3)                  2.330
   Preferred Orientation Spherical Harmonics 
      Order                                  6
      k00                                    1
      k41                                    0(200000)
      k61                                    0(50000)
   Lattice parameters
      a (Ã…)                                  5.4305300

Site  Np    x           y           z         Atom Occ       Beq  
Si1    8   0.00000    0.00000     0.00000     Si   1         1(1100000)