| Line | |
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| 1 | #/* |
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| 2 | #Dinnebier, R. E., Bernatowicz, P. , Helluy, X. , Sebald, A. , |
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| 3 | # Wunschel, M. , Fitch A. , & van Smaalen, S. (2002). Acta Cryst. B58, 52-61 |
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| 4 | #_cell_length_a 9.92009(7) |
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| 5 | #_cell_length_b 14.51030(10) |
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| 6 | #_cell_length_c 9.13585(7) |
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| 7 | #_cell_angle_alpha 90.4769(4) |
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| 8 | #_cell_angle_beta 111.6724(4) |
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| 9 | #_cell_angle_gamma 89.9877(6) |
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| 10 | #_cell_volume 1222.04(2) |
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| 11 | #*/ |
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| 12 | # |
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| 13 | #seed |
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| 14 | #index_lam 0.491213 |
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| 15 | #index_zero_error |
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| 16 | #try_space_groups 2 |
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| 17 | # |
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| 18 | #load index_d index_I { |
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| 19 | # /* |
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| 20 | 2.978513 6.672077 |
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| 21 | 2.989555 15.5885 |
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| 22 | 3.00845 28.61461 |
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| 23 | 3.010881 8.470975 |
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| 24 | 3.019324 15.84904 |
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| 25 | 3.039271 56.59224 |
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| 26 | 3.056733 11.54139 |
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| 27 | 3.072091 22.45722 |
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| 28 | 3.089396 27.94208 |
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| 29 | 3.09351 87.91316 |
|---|
| 30 | 3.175469 62.7447 |
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| 31 | 3.188229 17.61879 |
|---|
| 32 | 3.223291 133.464 |
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| 33 | 3.28558 2.699165 |
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| 34 | 3.299111 24.13752 |
|---|
| 35 | 3.305527 79.27087 |
|---|
| 36 | 3.322824 62.38552 |
|---|
| 37 | 3.345712 76.58419 |
|---|
| 38 | 3.371153 47.12857 |
|---|
| 39 | 3.406241 125.4304 |
|---|
| 40 | 3.431424 55.87051 |
|---|
| 41 | 3.462033 27.28555 |
|---|
| 42 | 3.538578 19.29871 |
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| 43 | 3.569958 2.185094 |
|---|
| 44 | 3.597023 3.025154 |
|---|
| 45 | 3.796386 13.85403 |
|---|
| 46 | 3.837524 196.6216 |
|---|
| 47 | 3.864402 6.713665 |
|---|
| 48 | 3.883514 41.22351 |
|---|
| 49 | 3.895046 44.24798 |
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| 50 | 3.927571 35.68108 |
|---|
| 51 | 3.994446 4.705255 |
|---|
| 52 | 4.042674 10.99346 |
|---|
| 53 | 4.082716 138.893 |
|---|
| 54 | 4.107149 94.55289 |
|---|
| 55 | 4.128182 290.6424 |
|---|
| 56 | 4.211248 3.692522 |
|---|
| 57 | 4.285153 180.0174 |
|---|
| 58 | 4.312808 9.667773 |
|---|
| 59 | 4.326507 21.89133 |
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| 60 | 4.346926 92.86217 |
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| 61 | 4.387226 55.95321 |
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| 62 | 4.396178 39.18946 |
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| 63 | # */ |
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| 64 | # |
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| 65 | 4.53676 2.000375 |
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| 66 | 4.608022 6.391603 |
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| 67 | 4.620865 17.94653 |
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| 68 | 4.834793 68.51934 |
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| 69 | 4.874924 191.8681 |
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| 70 | 4.994966 20.77921 |
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| 71 | 5.021898 185.5379 |
|---|
| 72 | 5.338543 13.81484 |
|---|
| 73 | 5.390968 7.529976 |
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| 74 | 5.489526 138.5839 |
|---|
| 75 | 5.537647 12.56903 |
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| 76 | 5.690419 22.5604 |
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| 77 | 6.889664 38.5248 |
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| 78 | 6.923075 9.352411 |
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| 79 | 7.250949 258.4238 |
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| 80 | 7.294163 282.212 |
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| 81 | 7.351469 287.6255 |
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| 82 | 7.766485 261.2772 |
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| 83 | 7.789209 254.7278 |
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| 84 | 7.851037 262.4052 |
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| 85 | 8.418365 18.38103 |
|---|
| 86 | 8.479813 14.50284 |
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| 87 | 9.076779 8.796416 |
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| 88 | 9.210652 7.838031 |
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| 89 | 14.4883 4.450874 |
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| 90 | #} |
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| 91 | |
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