Generation of hkl and
2q
Output from Program DRAGON-WWW |
F-CENTRED Orthorhombic Unit Cell
Cell parameters
a (Å) | b (Å) | c (Å) | a (°) | b (°) | g (°) | V (Å3) |
6.00000 | 7.50000 | 8.50000 | 90.000 | 90.000 | 90.000 | 382.5 |
Reflection conditions are hkl: k + l = 2n hkl: h + l = 2n
h | k | l | J | d (Å) | 2q (°) | h | k | l | J | d (Å) | 2q (°) | h | k | l | J | d (Å) | 2q (°) |
0 | 0 | 2 | 2 | 4.2500 | 20.884 | 4 | 2 | 2 | 8 | 1.3235 | 71.185 | 2 | 6 | 4 | 8 | 1.0140 | 98.865 |
1 | 1 | 1 | 8 | 4.1032 | 21.640 | 1 | 5 | 3 | 8 | 1.2945 | 73.034 | 5 | 3 | 3 | 8 | 1.0107 | 99.309 |
0 | 2 | 0 | 2 | 3.7500 | 23.707 | 2 | 0 | 6 | 4 | 1.2810 | 73.926 | 2 | 0 | 8 | 4 | 1.0015 | 100.545 |
2 | 0 | 0 | 2 | 3.0000 | 29.756 | 3 | 1 | 5 | 8 | 1.2764 | 74.239 | 6 | 0 | 0 | 2 | 1.0000 | 100.758 |
0 | 2 | 2 | 4 | 2.8119 | 31.797 | 2 | 4 | 4 | 8 | 1.2731 | 74.465 | 4 | 2 | 6 | 8 | 0.9932 | 101.716 |
2 | 0 | 2 | 4 | 2.4509 | 36.635 | 0 | 6 | 0 | 2 | 1.2500 | 76.082 | 1 | 7 | 3 | 8 | 0.9885 | 102.386 |
1 | 1 | 3 | 8 | 2.4245 | 37.049 | 4 | 0 | 4 | 4 | 1.2255 | 77.889 | 3 | 5 | 5 | 8 | 0.9804 | 103.573 |
2 | 2 | 0 | 4 | 2.3426 | 38.394 | 2 | 2 | 6 | 8 | 1.2122 | 78.902 | 6 | 0 | 2 | 4 | 0.9734 | 104.617 |
1 | 3 | 1 | 8 | 2.2271 | 40.470 | 0 | 6 | 2 | 4 | 1.1992 | 79.931 | 5 | 1 | 5 | 8 | 0.9721 | 104.820 |
0 | 0 | 4 | 2 | 2.1250 | 42.506 | 3 | 5 | 1 | 8 | 1.1882 | 80.822 | 2 | 2 | 8 | 8 | 0.9676 | 105.509 |
2 | 2 | 2 | 8 | 2.0516 | 44.105 | 1 | 1 | 7 | 8 | 1.1754 | 81.886 | 6 | 2 | 0 | 4 | 0.9662 | 105.727 |
3 | 1 | 1 | 8 | 1.8844 | 48.255 | 5 | 1 | 1 | 8 | 1.1736 | 82.044 | 4 | 6 | 0 | 4 | 0.9603 | 106.671 |
0 | 4 | 0 | 2 | 1.8750 | 48.512 | 4 | 4 | 0 | 4 | 1.1713 | 82.238 | 3 | 3 | 7 | 8 | 0.9586 | 106.937 |
0 | 2 | 4 | 4 | 1.8488 | 49.245 | 4 | 2 | 4 | 8 | 1.1648 | 82.795 | 6 | 2 | 2 | 8 | 0.9422 | 109.679 |
1 | 3 | 3 | 8 | 1.7893 | 50.998 | 2 | 6 | 0 | 4 | 1.1538 | 83.761 | 3 | 7 | 1 | 8 | 0.9387 | 110.292 |
2 | 0 | 4 | 4 | 1.7341 | 52.745 | 3 | 3 | 5 | 8 | 1.1501 | 84.096 | 0 | 8 | 0 | 2 | 0.9375 | 110.497 |
0 | 4 | 2 | 4 | 1.7155 | 53.362 | 0 | 4 | 6 | 4 | 1.1303 | 85.918 | 0 | 6 | 6 | 4 | 0.9373 | 110.533 |
1 | 1 | 5 | 8 | 1.5981 | 57.634 | 4 | 4 | 2 | 8 | 1.1292 | 86.023 | 4 | 6 | 2 | 8 | 0.9367 | 110.644 |
3 | 1 | 3 | 8 | 1.5965 | 57.696 | 2 | 6 | 2 | 8 | 1.1135 | 87.536 | 1 | 5 | 7 | 8 | 0.9323 | 111.418 |
2 | 4 | 0 | 4 | 1.5900 | 57.953 | 1 | 5 | 5 | 8 | 1.1055 | 88.337 | 5 | 5 | 1 | 8 | 0.9314 | 111.586 |
2 | 2 | 4 | 8 | 1.5739 | 58.602 | 3 | 5 | 3 | 8 | 1.1050 | 88.389 | 1 | 1 | 9 | 8 | 0.9258 | 112.609 |
3 | 3 | 1 | 8 | 1.5360 | 60.195 | 5 | 1 | 3 | 8 | 1.0932 | 89.598 | 0 | 4 | 8 | 4 | 0.9244 | 112.874 |
4 | 0 | 0 | 2 | 1.5000 | 61.797 | 0 | 6 | 4 | 4 | 1.0774 | 91.275 | 0 | 8 | 2 | 4 | 0.9155 | 114.573 |
2 | 4 | 2 | 8 | 1.4892 | 62.296 | 1 | 3 | 7 | 8 | 1.0746 | 91.583 | 5 | 3 | 5 | 8 | 0.9127 | 115.122 |
1 | 5 | 1 | 8 | 1.4343 | 64.963 | 5 | 3 | 1 | 8 | 1.0732 | 91.740 | 6 | 0 | 4 | 4 | 0.9048 | 116.709 |
0 | 0 | 6 | 2 | 1.4167 | 65.875 | 0 | 0 | 8 | 2 | 1.0625 | 92.933 | 4 | 4 | 6 | 8 | 0.9027 | 117.144 |
4 | 0 | 2 | 4 | 1.4145 | 65.990 | 2 | 4 | 6 | 8 | 1.0577 | 93.478 | 1 | 7 | 5 | 8 | 0.8963 | 118.508 |
0 | 4 | 4 | 4 | 1.4059 | 66.442 | 1 | 7 | 1 | 8 | 1.0467 | 94.767 | 3 | 7 | 3 | 8 | 0.8960 | 118.568 |
4 | 2 | 0 | 4 | 1.3927 | 67.157 | 4 | 0 | 6 | 4 | 1.0299 | 96.816 | 2 | 8 | 0 | 4 | 0.8948 | 118.817 |
1 | 3 | 5 | 8 | 1.3687 | 68.496 | 3 | 1 | 7 | 8 | 1.0282 | 97.040 | 2 | 6 | 6 | 8 | 0.8946 | 118.855 |
3 | 3 | 3 | 8 | 1.3677 | 68.552 | 4 | 4 | 4 | 8 | 1.0258 | 97.339 | 5 | 5 | 3 | 8 | 0.8897 | 119.953 |
0 | 2 | 6 | 4 | 1.3253 | 71.075 | 0 | 2 | 8 | 4 | 1.0223 | 97.790 |
© Copyright 1998-2006. Birkbeck College, University of London. | Author(s): Jeremy Karl Cockcroft |