KTiOPO4 Hansen N K, Protas J, Marnier G Acta Crystallographica B47 (1991) 660-672 The electron-density distribution in KTiOPO4 _database_code_amcsd 0009854 CELL PARAMETERS: 12.8209 6.4052 10.5932 90.000 90.000 90.000 SPACE GROUP: Pna2_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 869.918 Density (g/cm3): 3.022 MAX. ABS. INTENSITY / VOLUME**2: 7.127867908 RIR: 0.768 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.81 25.81 6.4104 2 0 0 2 15.46 39.76 5.7299 1 1 0 4 16.16 91.10 5.4844 2 0 1 2 16.17 100.00 5.4811 0 1 1 2 17.60 1.36 5.0399 1 1 1 4 21.33 11.25 4.1659 2 1 1 4 21.77 1.86 4.0832 2 0 2 2 22.86 1.37 3.8894 1 1 2 4 25.05 14.89 3.5550 3 1 0 4 25.88 58.49 3.4431 2 1 2 4 26.45 32.27 3.3703 3 1 1 4 28.87 74.93 3.0929 2 0 3 2 28.87 71.83 3.0923 0 1 3 2 29.11 10.45 3.0679 4 0 1 2 29.72 1.76 3.0061 1 1 3 4 29.97 12.67 2.9815 1 2 1 4 30.28 3.86 2.9518 3 1 2 4 31.20 1.34 2.8664 4 1 0 4 31.22 5.31 2.8650 2 2 0 4 32.36 90.28 2.7669 4 1 1 4 32.37 69.32 2.7656 2 2 1 4 32.66 54.03 2.7422 4 0 2 2 32.68 67.17 2.7406 0 2 2 2 33.44 6.36 2.6800 1 2 2 4 33.85 27.63 2.6483 0 0 4 1 35.63 17.24 2.5199 2 2 2 4 35.84 4.00 2.5053 3 1 3 4 36.06 2.16 2.4910 3 2 1 4 36.72 1.32 2.4477 2 0 4 2 37.41 5.41 2.4040 1 1 4 4 37.79 5.76 2.3805 5 1 0 4 37.91 1.47 2.3733 4 0 3 2 38.60 2.25 2.3326 1 2 3 4 38.77 2.23 2.3226 5 1 1 4 39.79 8.97 2.2655 4 2 0 4 40.54 6.05 2.2254 4 1 3 4 40.55 5.43 2.2248 2 2 3 4 40.73 2.64 2.2154 4 2 1 4 41.59 15.07 2.1713 5 1 2 4 42.30 4.47 2.1368 6 0 0 2 42.57 1.08 2.1238 3 1 4 4 42.94 14.96 2.1061 1 3 0 4 43.19 1.12 2.0946 6 0 1 2 43.64 4.23 2.0741 3 2 3 4 44.37 25.68 2.0416 4 0 4 2 44.39 25.28 2.0409 0 2 4 2 45.07 4.08 2.0116 2 0 5 2 45.07 5.41 2.0115 0 1 5 2 45.56 3.91 1.9909 6 1 1 4 45.59 1.57 1.9896 2 3 1 4 45.79 1.95 1.9816 6 0 2 2 45.98 1.01 1.9739 5 1 3 4 46.15 4.25 1.9668 5 2 1 4 46.40 6.07 1.9570 1 3 2 4 46.71 1.61 1.9447 2 2 4 4 47.61 4.72 1.9100 3 3 0 4 47.69 2.86 1.9068 4 2 3 4 48.06 4.35 1.8931 6 1 2 4 48.09 3.99 1.8920 2 3 2 4 48.43 3.27 1.8797 3 3 1 4 49.88 11.29 1.8281 6 0 3 2 49.92 10.41 1.8270 0 3 3 2 50.12 1.35 1.8200 3 1 5 4 50.45 1.24 1.8088 1 3 3 4 51.41 7.37 1.7775 6 2 0 4 51.63 7.54 1.7704 5 1 4 4 51.92 1.84 1.7610 7 1 0 4 52.02 6.22 1.7579 6 1 3 4 52.05 4.66 1.7571 2 3 3 4 52.18 3.03 1.7530 6 2 1 4 52.20 2.24 1.7524 4 3 1 4 52.26 1.79 1.7504 1 2 5 4 52.55 4.11 1.7413 5 2 3 4 52.69 2.44 1.7371 7 1 1 4 53.21 31.42 1.7215 4 2 4 4 53.81 12.15 1.7038 4 1 5 4 53.82 10.86 1.7035 2 2 5 4 54.63 7.56 1.6800 3 3 3 4 55.89 1.04 1.6451 2 1 6 4 56.05 10.41 1.6408 5 3 0 4 56.78 1.12 1.6214 5 3 1 4 57.51 14.40 1.6026 8 0 0 2 57.56 10.62 1.6013 0 4 0 2 58.10 1.61 1.5877 6 2 3 4 58.11 4.17 1.5873 4 3 3 4 58.58 4.40 1.5759 7 1 3 4 58.72 1.65 1.5723 7 2 1 4 58.93 1.49 1.5673 5 3 2 4 59.50 3.27 1.5536 2 4 0 4 59.69 4.59 1.5491 3 3 4 4 59.80 7.27 1.5464 4 0 6 2 59.82 9.47 1.5462 0 2 6 2 60.16 1.64 1.5382 8 1 1 4 60.20 3.47 1.5371 2 4 1 4 60.34 1.40 1.5339 8 0 2 2 60.83 1.13 1.5228 7 2 2 4 60.87 2.15 1.5219 1 4 2 4 61.68 1.69 1.5039 0 3 5 2 62.07 1.30 1.4952 6 3 1 4 62.15 1.79 1.4936 1 3 5 4 62.23 1.04 1.4918 8 1 2 4 62.41 2.21 1.4880 5 3 3 4 62.98 8.05 1.4759 6 2 4 4 63.12 9.54 1.4728 2 0 7 2 63.13 10.28 1.4728 0 1 7 2 63.43 2.85 1.4664 7 1 4 4 63.54 2.42 1.4641 2 3 5 4 64.12 1.65 1.4524 6 3 2 4 64.25 1.47 1.4497 7 2 3 4 65.08 1.17 1.4332 8 2 0 4 65.61 4.68 1.4229 8 1 3 4 65.66 5.17 1.4220 2 4 3 4 65.79 1.05 1.4196 4 4 1 4 65.86 3.22 1.4181 5 1 6 4 67.11 18.33 1.3948 5 3 4 4 67.34 2.20 1.3906 9 1 0 4 67.44 4.23 1.3886 6 3 3 4 67.73 3.69 1.3834 8 2 2 4 67.77 2.52 1.3828 4 4 2 4 67.91 1.44 1.3802 3 4 3 4 67.99 1.52 1.3787 9 1 1 4 68.42 1.71 1.3711 8 0 4 2 68.47 1.32 1.3703 0 4 4 2 68.96 2.35 1.3617 6 2 5 4 68.98 4.19 1.3615 4 3 5 4 69.00 1.96 1.3611 6 0 6 2 69.40 3.94 1.3543 7 1 5 4 69.47 1.16 1.3530 1 3 6 4 69.97 3.05 1.3446 7 3 2 4 70.24 2.55 1.3400 2 4 4 4 71.21 3.92 1.3241 0 0 8 1 72.54 1.15 1.3031 3 2 7 4 73.14 1.39 1.2939 9 1 3 4 73.17 4.88 1.2935 7 3 3 4 73.27 1.10 1.2919 9 2 1 4 73.39 1.88 1.2901 1 1 8 4 74.67 1.94 1.2712 1 4 5 4 74.91 4.13 1.2677 5 4 3 4 75.41 6.79 1.2604 8 2 4 4 75.45 3.57 1.2600 4 4 4 4 75.56 1.40 1.2584 4 2 7 4 75.91 1.52 1.2534 8 1 5 4 76.34 3.12 1.2475 2 5 1 4 76.48 3.01 1.2455 6 4 2 4 77.70 1.06 1.2290 1 3 7 4 77.84 1.00 1.2271 3 5 0 4 78.09 2.97 1.2238 4 0 8 2 78.10 2.28 1.2237 0 2 8 2 78.46 1.77 1.2189 3 5 1 4 78.95 1.25 1.2126 6 1 7 4 79.38 2.23 1.2071 5 2 7 4 79.56 1.73 1.2048 8 3 3 4 79.58 1.85 1.2046 6 4 3 4 80.12 1.25 1.1978 7 4 1 4 81.07 2.43 1.1861 3 3 7 4 81.17 2.94 1.1850 9 3 0 4 81.41 1.45 1.1821 4 5 1 4 81.78 1.30 1.1776 9 3 1 4 81.97 1.07 1.1755 7 4 2 4 83.08 1.65 1.1625 9 1 5 4 83.10 1.83 1.1623 7 3 5 4 83.38 1.01 1.1591 3 5 3 4 83.51 1.16 1.1577 2 0 9 2 83.51 2.00 1.1576 0 1 9 2 83.62 2.73 1.1564 9 3 2 4 84.32 1.16 1.1486 1 5 4 4 84.81 4.17 1.1432 4 2 8 4 85.10 1.15 1.1400 11 1 1 4 85.78 1.43 1.1328 8 4 0 4 86.66 1.32 1.1234 9 3 3 4 86.92 2.28 1.1207 11 1 2 4 86.99 1.28 1.1201 5 5 2 4 87.71 1.06 1.1127 8 2 6 4 87.74 1.72 1.1124 4 4 6 4 89.73 1.54 1.0929 6 5 1 4 89.79 2.24 1.0922 7 3 6 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.