File 1 : H:\instruments-archive\XRD-current\Austin\MCTeCO\ML_Barksdale_20240403_6_AMF-CsCTeCO_T5_dried+Si_std_2hr_last_check.raw
Range Number :  1

R-Values 

Rexp : 1.15    Rwp : 1.73     Rp  : 1.26   GOF : 1.50
Rexp`: 10.01   Rwp`: 15.01    Rp` : 21.89  DW  : 1.09

Quantitative Analysis - Rietveld 
   Phase 1  : Structure                      70.2(6) %
   Phase 2  : Structure                      29.8(6) %

Background 
   Chebychev polynomial, Coefficient  0      7188(4)
                                      1      -3970(6)
                                      2      428(5)
                                      3      571(5)
                                      4      -14(5)
                                      5      -553(5)
                                      6      463(5)
                                      7      -134(4)
                                      8      -103(4)

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)                    0.05(3)

Corrections 
   Specimen displacement                     0.1344(19)
   LP Factor                                 0

Miscellaneous 
   Convolution Steps                         3
   Start X                                   12
   Finish X                                  60

Structure 1 
   Phase name                                Structure
   R-Bragg                                   0.482
   Spacegroup                                C2/c
   Scale                                       0.000094(2)
   Cell Mass                                 2458(4)
   Cell Volume (Ã…^3)                         757.68(6)
   Wt% - Rietveld                            70.2(6)
   Double-Voigt|Approach 
      Cry size Lorentzian                    98(3)
      k:  1  LVol-IB (nm)                    63(4)
      k:  0.89  LVol-FWHM (nm)               88(5)
   Strain 
      Strain L                               0.029(11)
      e0                                     0.00006(17)
   Crystal Linear Absorption Coeff. (1/cm)   1218.33(11)
   Crystal Density (g/cm^3)                  5.387(10)
   Preferred Orientation Spherical Harmonics 
      Order                                  4
      y00                                    1
      y20                                    -0.31(3)
      y22m                                   -0.94(5)
      y22p                                   0.139(9)
      y40                                    -0.02(2)
      y42m                                   0.00(3)
      y42p                                   0.047(8)
      y44m                                   -0.118(13)
      y44p                                   -0.51(3)
   Lattice parameters
      a (Ã…)                                  12.6763(6)
      b (Ã…)                                  5.2069(2)
      c (Ã…)                                  11.6225(5)
      beta  (°)                              99.002(4)

Site  Np    x           y           z         Atom Occ       Beq  
Co1    8   0.2735(9)  0.318(3)    0.1433(9)   Co   0.958(14) 1.7(4)
Te1    4   0.50000    0.6512(12)  0.25000     Te   1.000(11) 1.5(3)
Te2    8   0.3608(4)  0.3084(8)   0.4437(5)   Te   0.991(13) 2.0(2)
O1     8   0.400(2)   0.462(8)    0.147(4)    O    0.89(4)   1.9(16)
O2     8   0.369(3)   0.613(7)    0.351(4)    O    1.00(5)   1.5(14)
O3     8   0.289(3)   0.147(9)    0.333(3)    O    0.92(5)   2.0(14)
O4     8   0.249(3)   0.463(8)    0.476(4)    O    0.98(3)   2.0(14)


Structure 2 
   Phase name                                Structure
   R-Bragg                                   0.281
   Spacegroup                                Fd-3m
   Scale                                       0.00208(2)
   Cell Mass                                 224.684
   Cell Volume (Ã…^3)                         160.14989
   Wt% - Rietveld                            29.8(6)
   Double-Voigt|Approach 
      Cry size Lorentzian                    1500(300)
      k:  1  LVol-IB (nm)                    1000(300)
      k:  0.89  LVol-FWHM (nm)               1300(600)
   Crystal Linear Absorption Coeff. (1/cm)   148.024
   Crystal Density (g/cm^3)                  2.330
   Preferred Orientation Spherical Harmonics 
      Order                                  6
      k00                                    1
      k41                                    -0.14(2)
      k61                                    0.224(7)
   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