Examples of calculations by program RTP

Calculation of the cell edge of UO2 compound (dispersion fuel in Zr matrix)

Calculation results by program RTP.   11 May 2003   13:49
Name: UO2 in Zr           Emission: 1.54051      Lattice: P cubic

 #  |  h  k  l |  2th  | +-2th |   d    |  +-d   |   I   | 2th calc |deviation
 1     1  1  1   28.23    0.05   3.1589   0.0055            28.216     0.014  
 2     2  0  0   32.79    0.05   2.7291   0.0040            32.695     0.095  
 3     2  2  0   46.93    0.05   1.9343   0.0019            46.912     0.018  
 4     3  1  1   55.70    0.05   1.6489   0.0014            55.647     0.053  
 5     2  2  2   58.41    0.05   1.5786   0.0012            58.354     0.056  
 6     4  2  0   77.97    0.05   1.2244   0.0007            78.007    -0.037  
 7     4  2  2   87.10    0.05   1.1180   0.0005            87.171    -0.071  

    Parameter   Error 1    Error 2         Parameter   Error 1    Error 2 
 a=  5.4732     0.0015     0.0014       V= 163.958      0.136      0.124
2th rms dev: 0.060 - well

Calculation of interplanar distances for electron beam diffraction (100 kV), ZrFe2 compound

Calculation results by program RTP.   11 May 2003   13:53
Name: ZrFe2               Emission: 0.03702      Lattice: P hexagonal

 #  |  h  k  l |  2th  | +-2th |   d    |  +-d   |   I   | 2th calc |deviation
 1     0  0  1    0.256          8.2898                  
 2     1  0  0    0.482          4.3985                  
 3     0  0  2    0.512          4.1449                  
 4     1  0  1    0.546          3.8854                  
 5     1  0  2    0.703          3.0165                  
 6     0  0  3    0.768          2.7633                  
 7     1  1  0    0.835          2.5394                  
 8     1  1  1    0.874          2.4281                  
 9     1  0  3    0.907          2.3398                  
10     2  0  0    0.964          2.1992                  
11     1  1  2    0.980          2.1654                  
12     2  0  1    0.998          2.1257                  
13     0  0  4    1.023          2.0724                  
14     2  0  2    1.092          1.9427                  
15     1  0  4    1.131          1.8748                  
16     1  1  3    1.134          1.8698                  
17     2  0  3    1.233          1.7208                  
18     2  1  0    1.276          1.6625                  
19     0  0  5    1.279          1.6580                  
20     2  1  1    1.301          1.6300                  

    Parameter   Error 1    Error 2         Parameter   Error 1    Error 2 
 a=  5.0789     0.0000     ******     c/a=  1.6322     0.0000     ******
 c=  8.2898     0.0000     ******       V= 185.188      0.000     ******

Indexing and calculation of the cell for U3O7 compound

Calculation results by program RTP.   11 May 2003   13:55
Name: U3O7                Emission: 1.54051      Lattice: I tetragonal

 #  |  h  k  l |  2th  | +-2th |   d    |  +-d   |   I   | 2th calc |deviation
 1 *   1  0  1   28.53    0.05   3.1260   0.0054            28.513     0.017  
 2 *   0  0  2   32.33    0.05   2.7670   0.0042            32.331    -0.001  
 3     1  1  0   33.37    0.05   2.6830   0.0039            33.392    -0.022  
 4     1  1  2   47.15    0.05   1.9260   0.0019            47.165    -0.015  
 5     2  0  0   47.97    0.05   1.8950   0.0019            47.945     0.025  
 6     1  0  3   55.44    0.05   1.6560   0.0014            55.344     0.096  
 7     2  1  1   56.70    0.05   1.6220   0.0013            56.732    -0.032  
 8     2  0  2   59.05    0.05   1.5630   0.0012            59.015     0.035  
 9     0  0  4   67.69    0.05   1.3830   0.0009            67.674     0.016  
10     2  2  0   70.17    0.05   1.3400   0.0008            70.141     0.029  
11     2  1  3   76.15    0.05   1.2490   0.0007            76.202    -0.052  
12     1  1  4   77.54    0.05   1.2300   0.0007            77.596    -0.056  

    Parameter   Error 1    Error 2         Parameter   Error 1    Error 2 
 a=  3.7916     0.0014     0.0010     c/a=  1.4593     0.0011     0.0008
 c=  5.5331     0.0022     0.0016       V=  79.546      0.089      0.065
2th rms dev: 0.043 - very well
100% lines are described. Probable cell: body centred

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