Line | |
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1 | #/* |
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2 | #a = 8.792(4), b = 15.949(8), c = 7.091(6) |
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3 | #alpha = 95.73(1), beta = 94.10(1), gamma = 87.57(1) |
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4 | #a/b = 0.5513, c/b = 0.4446 |
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5 | #(published values: a = 879.1(4) pm, b = 1594.8(8), c = 709.1(6), |
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6 | #alpha = 95.73(1), beta = 94.10(1), gamma = 87.57(1) [Petcher et al., 1974]) |
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7 | #Volume 986.2 A3 |
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8 | # NBS Monograph 25.16 P.92 280889 |
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9 | # A = 7.085807 ALFA = 63.013237 |
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10 | # B = 8.787556 BETA = 86.963554 |
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11 | # C = 17.870726 GAMMA = 94.134857 |
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12 | # UNIT CELL VOLUME = 984.40 A**3 |
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13 | #*/ |
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14 | # |
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15 | #index_lam 1.540596 |
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16 | #index_zero_error |
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17 | #try_space_groups 2 |
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18 | # |
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19 | #'#define DO_DETAILS ' uncomment this line to reprocess the following solutions |
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20 | ##ifdef DO_DETAILS |
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21 | # Indexing_Solutions_With_Zero_Error_2 { |
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22 | # 50) P-1 1 0 2064.788 9.74 0.0000 18.7159 10.2326 13.0031 101.390 58.699 102.795 ' === 22 19 19 17 16 15 |
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23 | # 51) P-1 3 0 3128.349 9.61 0.0115 14.8861 13.6502 20.4457 83.369 50.954 76.089 ' === 17 19 22 15 15 16 |
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24 | # } |
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25 | ##endif |
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26 | # |
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27 | #load index_d { |
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28 | 15.83 good |
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29 | 8.75 |
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30 | 7.91 |
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31 | 7.78 |
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32 | 7.56 |
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33 | 7.03 |
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34 | 6.67 |
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35 | 6.21 |
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36 | 5.77 |
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37 | 5.53 |
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38 | 5.29 |
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39 | 5.02 |
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40 | 4.96 |
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41 | 4.85 |
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42 | 4.52 |
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43 | 4.454 |
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44 | 4.410 |
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45 | 4.312 |
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46 | 4.263 |
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47 | 4.184 |
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48 | 4.081 |
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49 | 4.044 |
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50 | 3.962 |
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51 | 3.890 |
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52 | 3.844 |
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53 | #} |
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54 | |
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