File 1 : H:\instruments-archive\XRD-current\Austin\MCTeCO\ML_Westley_20240202_1_AMF-LiCTeCO_T8_dried+Si_std_2hr_last_check.raw
Range Number :  1

R-Values 

Rexp : 1.12    Rwp : 2.39     Rp  : 1.47   GOF : 2.13
Rexp`: 7.30    Rwp`: 15.57    Rp` : 18.97  DW  : 0.72

Quantitative Analysis - Rietveld 
   Phase 1  : Structure                      65.7(2) %
   Phase 2  : Structure                      34.3(2) %

Background 
   Chebychev polynomial, Coefficient  0      7491(5)
                                      1      -3841(9)
                                      2      461(8)
                                      3      440(7)
                                      4      74(7)
                                      5      -543(7)
                                      6      418(7)
                                      7      -114(6)
                                      8      -97(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                     0.106(2)
   LP Factor                                 0

Miscellaneous 
   Convolution Steps                         3
   Start X                                   12
   Finish X                                  60

Structure 1 
   Phase name                                Structure
   R-Bragg                                   0.717
   Spacegroup                                C2/c
   Scale                                       0.000100(4)
   Cell Mass                                 2473(4)
   Cell Volume (Ã…^3)                         758.57(6)
   Wt% - Rietveld                            65.7(2)
   Double-Voigt|Approach 
      Cry size Lorentzian                    116.4(17)
      k:  1  LVol-IB (nm)                    74.1(11)
      k:  0.89  LVol-FWHM (nm)               103.6(15)
   Strain 
      Strain L                               0.048(6)
      e0                                     0.000104(12)
   Crystal Linear Absorption Coeff. (1/cm)   1225.08(11)
   Crystal Density (g/cm^3)                  5.413(10)
   Preferred Orientation Spherical Harmonics 
      Order                                  4
      y00                                    1
      y20                                    0.13(2)
      y22m                                   -0.27(2)
      y22p                                   0.147(12)
      y40                                    -0.23(2)
      y42m                                   -0.24(3)
      y42p                                   0.047(11)
      y44m                                   -0.127(16)
      y44p                                   -0.119(15)
   Lattice parameters
      a (Ã…)                                  12.6818(6)
      b (Ã…)                                  5.2091(2)
      c (Ã…)                                  11.6257(5)
      beta  (°)                              98.987(4)

Site  Np    x           y           z         Atom Occ       Beq  
Co1    8   0.2746(9)  0.312(3)    0.1439(10)  Co   0.972(11) 1.8(4)
Te1    4   0.50000    0.6522(13)  0.25000     Te   1.000(10) 1.5(3)
Te2    8   0.3610(4)  0.3085(9)   0.4443(6)   Te   0.997(12) 2.4(2)
O1     8   0.421(3)   0.447(7)    0.150(4)    O    0.94(3)   3.0(14)
O2     8   0.367(3)   0.610(8)    0.353(5)    O    1.00(4)   3.0(14)
O3     8   0.289(3)   0.141(10)   0.328(4)    O    0.87(4)   1.6(14)
O4     8   0.251(4)   0.463(8)    0.477(5)    O    0.98(3)   2.9(14)


Structure 2 
   Phase name                                Structure
   R-Bragg                                   1.787
   Spacegroup                                Fd-3m
   Scale                                       0.00272(3)
   Cell Mass                                 224.684
   Cell Volume (Ã…^3)                         160.14989
   Wt% - Rietveld                            34.3(2)
   Double-Voigt|Approach 
      Cry size Lorentzian                    400(30)
      Cry size Gaussian                      253(10)
      k:  1  LVol-IB (nm)                    142(5)
      k:  0.89  LVol-FWHM (nm)               162(5)
   Strain 
      Strain G                               0.034(12)
      e0                                     0.00007(3)
   Crystal Linear Absorption Coeff. (1/cm)   148.024
   Crystal Density (g/cm^3)                  2.330
   Preferred Orientation Spherical Harmonics 
      Order                                  4
      k00                                    1
      k41                                    -0.66(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