Table 5.
(h,k,l) | tp top (°) | py top (°) | Δ1 (m°) | tp ζ (m°) | py ζ (m°) | Δ2 (m°) | tp IB (m°) | py IB (m°) | % err |
---|---|---|---|---|---|---|---|---|---|
(0, 0, 1) | 21.3160 | 21.3157 | 0.25 | −88.4 | −89.9 | 1.57 | 114 | 118 | −1.76 |
(0, 1, 1) | 30.3429 | 30.3423 | 0.59 | −57.2 | −58.2 | 0.93 | 96 | 101 | −2.72 |
(1, 1, 1) | 37.3998 | 37.3998 | 0.09 | −43.3 | −44.2 | 0.89 | 90 | 92 | −0.73 |
(0, 0, 2) | 43.4640 | 43.4638 | 0.21 | −34.1 | −34.9 | 0.73 | 84 | 88 | −2.51 |
(0, 1, 2) | 48.9154 | 48.9150 | 0.40 | −28.7 | −29.0 | 0.27 | 82 | 85 | −1.43 |
(1, 1, 2) | 53.9465 | 53.9465 | 0.07 | −24.0 | −24.6 | 0.60 | 80 | 82 | −1.29 |
(0, 2, 2) | 63.1762 | 63.1763 | −0.08 | −17.6 | −18.0 | 0.44 | 76 | 78 | −1.76 |
(0, 0, 3) | 67.5059 | 67.5057 | 0.17 | −15.4 | −15.6 | 0.20 | 76 | 78 | −0.81 |
(0, 1, 3) | 71.7038 | 71.7038 | −0.02 | −13.2 | −13.6 | 0.32 | 76 | 77 | −0.58 |
(1, 1, 3) | 75.8026 | 75.8028 | −0.22 | −11.4 | −11.7 | 0.31 | 77 | 77 | 0.31 |
(2, 2, 2) | 79.8290 | 79.8287 | 0.23 | −10.2 | −10.1 | −0.05 | 74 | 77 | −1.65 |
(0, 2, 3) | 83.8049 | 83.8050 | −0.09 | −8.6 | −8.8 | 0.14 | 75 | 78 | −1.83 |
(1, 2, 3) | 87.7512 | 87.7516 | −0.44 | −7.1 | −7.4 | 0.31 | 76 | 78 | −1.17 |
(0, 0, 4) | 95.6317 | 95.6312 | 0.52 | −5.0 | −5.1 | 0.18 | 78 | 81 | −1.47 |
(0, 1, 4) | 99.6038 | 99.6030 | 0.74 | −4.5 | −4.2 | −0.21 | 80 | 82 | −1.36 |
(1, 1, 4) | 103.6229 | 103.6222 | 0.70 | −3.5 | −3.4 | −0.18 | 83 | 84 | −0.40 |
(1, 3, 3) | 107.7121 | 107.7115 | 0.65 | −2.9 | −2.6 | −0.28 | 84 | 86 | −1.23 |
(0, 2, 4) | 111.8971 | 111.8966 | 0.44 | −2.1 | −2.0 | −0.09 | 90 | 90 | −0.01 |
(1, 2, 4) | 116.2095 | 116.2091 | 0.39 | −1.5 | −1.5 | −0.05 | 92 | 94 | −0.96 |
(2, 3, 3) | 120.6887 | 120.6882 | 0.49 | −1.0 | −0.8 | −0.21 | 97 | 99 | −1.21 |
(2, 2, 4) | 130.3782 | 130.3779 | 0.32 | −0.1 | −0.0 | −0.10 | 113 | 115 | −0.90 |
(0, 0, 5) | 135.7720 | 135.7715 | 0.49 | 0.1 | 0.5 | −0.31 | 128 | 128 | 0.04 |
(1, 3, 4) | 141.7499 | 141.7497 | 0.12 | 0.8 | 0.7 | 0.12 | 147 | 147 | 0.02 |
(3, 3, 3) | 148.6580 | 148.6579 | 0.07 | 1.1 | 1.0 | 0.11 | 175 | 179 | −0.87 |