File 1 : H:\instruments-archive\XRD-current\Austin\MCTeCO\ML_Barksdale_20230921_2_AMF-NaCTeCO_T24+Si_dessicator_2hr.raw
Range Number :  1

R-Values 

Rexp : 1.14    Rwp : 1.53     Rp  : 1.20   GOF : 1.34
Rexp`: 7.68    Rwp`: 10.31    Rp` : 15.20  DW  : 1.24

Quantitative Analysis - Rietveld 
   Phase 1  : Structure                      82.9(3) %
   Phase 2  : Structure                      17.1(3) %

Background 
   Chebychev polynomial, Coefficient  0      7217(3)
                                      1      -3329(5)
                                      2      528(5)
                                      3      318(5)
                                      4      53(4)
                                      5      -441(4)
                                      6      403(4)
                                      7      -179(4)
                                      8      -15(4)

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

Corrections 
   Specimen displacement                     0.081(4)
   LP Factor                                 0

Miscellaneous 
   Convolution Steps                         3
   Start X                                   12
   Finish X                                  60

Structure 1 
   Phase name                                Structure
   R-Bragg                                   0.404
   Spacegroup                                C2/c
   Scale                                       0.0001255(19)
   Cell Mass                                 2486(3)
   Cell Volume (Ã…^3)                         757.60(3)
   Wt% - Rietveld                            82.9(3)
   Double-Voigt|Approach 
      Cry size Lorentzian                    117.6(10)
      k:  1  LVol-IB (nm)                    74.9(6)
      k:  0.89  LVol-FWHM (nm)               104.7(9)
   Strain 
      Strain G                               0.077(5)
      e0                                     0.000167(12)
   Crystal Linear Absorption Coeff. (1/cm)   1225.17(7)
   Crystal Density (g/cm^3)                  5.448(6)
   Preferred Orientation Spherical Harmonics 
      Order                                  4
      y00                                    1
      y20                                    -0.270(19)
      y22m                                   -0.71(3)
      y22p                                   0.060(6)
      y40                                    0.067(13)
      y42m                                   0.132(14)
      y42p                                   0.023(6)
      y44m                                   -0.098(9)
      y44p                                   -0.405(18)
   Lattice parameters
      a (Ã…)                                  12.6760(2)
      b (Ã…)                                  5.20639(10)
      c (Ã…)                                  11.6232(2)
      beta  (°)                              99.0171(17)

Site  Np    x           y           z         Atom Occ       Beq  
Co1    8   0.2710(4)  -0.6914(13) 0.1481(5)   Co   0.961(8)  1.1(2)
Te1    4   0.50000    0.6549(6)   0.25000     Te   1.000(6)  1.10(17)
Te2    8   0.3634(2)  0.3088(4)   0.4449(3)   Te   1.000(7)  1.21(13)
O1     8   0.4172(14) 0.452(4)    0.1515(18)  O    0.989(19) 1.3(7)
O2     8   0.3847(15) 0.615(4)    0.356(2)    O    1.00(2)   2.0(8)
O3     8   0.3007(14) 0.139(5)    0.3148(18)  O    0.93(2)   1.9(7)
O4     8   0.2474(17) 0.460(4)    0.4644(18)  O    1.00(2)   1.7(7)


Structure 2 
   Phase name                                Structure
   R-Bragg                                   1.145
   Spacegroup                                Fd-3m
   Scale                                       0.001351(15)
   Cell Mass                                 224.684
   Cell Volume (Ã…^3)                         160.14989
   Wt% - Rietveld                            17.1(3)
   Double-Voigt|Approach 
      Cry size Lorentzian                    400(30)
      k:  1  LVol-IB (nm)                    260(30)
      k:  0.89  LVol-FWHM (nm)               360(50)
   Crystal Linear Absorption Coeff. (1/cm)   148.024
   Crystal Density (g/cm^3)                  2.330
   Preferred Orientation Spherical Harmonics 
      Order                                  4
      k00                                    1
      k41                                    -0.68(3)
   Lattice parameters
      a (Ã…)                                  5.4305300

Site  Np    x           y           z         Atom Occ       Beq  
Si1    8   0.00000    0.00000     0.00000     Si   1         0.54