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