Pickeringite Quartieri S, Triscari M, Viani A European Journal of Mineralogy 12 (2000) 1131-1138 Crystal structure of the hydrated sulphate pickeringite (MgAl2(SO4)4.22H2O): X-ray powder diffraction study _database_code_amcsd 0006848 CELL PARAMETERS: 6.1844 24.2715 21.2265 90.000 100.326 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 3134.592 Density (g/cm3): 1.925 MAX. ABS. INTENSITY / VOLUME**2: 2.553726717 RIR: 0.432 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 5.58 3.17 15.8300 0 1 1 4 8.47 6.90 10.4414 0 0 2 2 9.22 34.69 9.5915 0 1 2 4 11.18 15.20 7.9150 0 2 2 4 13.23 1.37 6.6912 0 1 3 4 14.67 43.25 6.0381 0 2 3 4 15.21 5.39 5.8269 0 4 1 4 15.49 3.05 5.7219 -1 0 2 2 15.91 1.99 5.5693 -1 1 2 4 16.17 3.83 5.4820 -1 2 1 4 16.80 16.02 5.2767 0 3 3 4 16.90 2.80 5.2463 0 4 2 4 17.13 1.92 5.1755 -1 2 2 4 17.50 1.40 5.0690 1 2 1 4 17.94 54.51 4.9456 -1 1 3 4 18.13 15.59 4.8933 -1 3 1 4 18.14 1.58 4.8894 1 0 2 2 18.24 17.75 4.8627 1 3 0 4 18.50 100.00 4.7957 0 2 4 4 18.77 1.97 4.7282 0 5 1 4 19.03 17.29 4.6637 -1 2 3 4 19.33 33.72 4.5929 1 3 1 4 19.57 2.94 4.5352 1 2 2 4 20.17 6.45 4.4018 0 5 2 4 20.24 1.04 4.3867 0 3 4 4 20.33 15.68 4.3678 -1 0 4 2 20.57 17.20 4.3175 -1 4 1 4 20.67 58.70 4.2964 1 4 0 4 20.73 4.31 4.2849 -1 3 3 4 21.23 7.78 4.1846 1 3 2 4 21.34 26.54 4.1629 -1 4 2 4 21.36 9.39 4.1589 1 1 3 4 21.59 3.44 4.1160 0 1 5 4 21.62 22.57 4.1097 -1 2 4 4 21.64 29.46 4.1069 1 4 1 4 22.30 18.02 3.9870 1 2 3 4 22.39 2.39 3.9714 0 6 1 4 22.47 3.60 3.9575 0 4 4 4 22.51 26.79 3.9492 0 2 5 4 22.91 6.24 3.8823 -1 4 3 4 23.35 5.79 3.8091 -1 5 1 4 23.44 9.48 3.7946 1 5 0 4 23.59 32.31 3.7721 0 6 2 4 23.77 2.31 3.7426 1 3 3 4 23.98 5.79 3.7112 0 3 5 4 24.30 11.51 3.6621 1 5 1 4 24.37 2.20 3.6517 1 0 4 2 24.65 8.16 3.6111 1 1 4 4 24.71 1.27 3.6032 -1 2 5 4 25.12 1.22 3.5449 -1 4 4 4 25.45 1.09 3.5002 -1 5 3 4 25.47 91.09 3.4975 0 6 3 4 25.47 50.40 3.4968 1 2 4 4 25.59 3.25 3.4805 0 0 6 2 25.86 11.58 3.4452 0 1 6 4 25.86 3.52 3.4449 1 5 2 4 26.06 1.80 3.4197 -1 3 5 4 26.64 4.18 3.3456 0 2 6 4 26.78 23.61 3.3284 1 3 4 4 26.99 2.46 3.3031 -1 6 2 4 27.10 4.10 3.2907 0 7 2 4 27.14 3.74 3.2856 -1 0 6 2 27.23 11.27 3.2749 1 6 1 4 27.39 6.35 3.2559 -1 1 6 4 27.47 1.71 3.2469 -1 5 4 4 27.84 5.05 3.2043 -1 4 5 4 28.01 4.65 3.1854 1 5 3 4 28.14 15.02 3.1714 -1 2 6 4 28.26 9.81 3.1576 -1 6 3 4 28.53 1.86 3.1288 1 4 4 4 28.64 1.75 3.1168 1 6 2 4 28.76 3.55 3.1036 0 7 3 4 28.97 2.74 3.0826 1 2 5 4 29.06 6.94 3.0723 -2 0 2 2 29.13 4.78 3.0657 -2 1 1 4 29.34 12.49 3.0441 -1 3 6 4 29.36 1.34 3.0421 2 0 0 2 29.44 1.32 3.0339 0 8 0 2 29.59 3.71 3.0191 0 4 6 4 29.59 6.66 3.0185 2 1 0 4 29.83 2.48 2.9948 -2 2 1 4 30.10 10.35 2.9688 -2 1 3 4 30.11 7.04 2.9679 -1 6 4 4 30.18 3.28 2.9610 0 1 7 4 30.29 1.17 2.9508 2 2 0 4 30.35 1.37 2.9449 1 7 1 4 30.61 2.09 2.9207 1 6 3 4 30.79 5.35 2.9043 -2 2 3 4 30.87 1.61 2.8970 0 2 7 4 30.95 21.29 2.8892 -1 4 6 4 30.96 4.74 2.8884 0 7 4 4 31.14 8.86 2.8722 -2 3 2 4 31.26 2.38 2.8610 -2 0 4 2 31.29 2.65 2.8587 -1 7 3 4 31.34 5.11 2.8539 2 2 1 4 31.49 18.40 2.8413 -2 1 4 4 31.63 9.19 2.8285 0 5 6 4 31.63 7.03 2.8284 1 7 2 4 31.71 2.20 2.8216 1 4 5 4 31.83 3.83 2.8117 1 0 6 2 32.05 3.46 2.7930 1 1 6 4 32.09 1.22 2.7895 2 0 2 2 32.14 6.30 2.7846 -2 2 4 4 32.18 6.67 2.7812 0 8 3 4 32.30 7.25 2.7712 2 1 2 4 32.44 8.84 2.7601 2 3 1 4 32.45 6.03 2.7593 -1 6 5 4 32.67 3.59 2.7410 -2 4 2 4 32.69 2.55 2.7391 1 2 6 4 32.90 1.79 2.7226 -1 3 7 4 32.92 2.05 2.7209 -1 5 6 4 32.92 3.65 2.7204 -1 8 1 4 32.95 3.53 2.7186 2 2 2 4 32.98 7.26 2.7157 -1 7 4 4 33.21 6.44 2.6973 -2 3 4 4 33.40 4.69 2.6829 -2 4 3 4 33.43 28.15 2.6804 -1 8 2 4 33.47 1.03 2.6772 0 4 7 4 33.50 1.32 2.6746 0 9 1 4 33.63 5.13 2.6653 1 8 1 4 33.98 2.02 2.6383 0 6 6 4 34.00 1.22 2.6371 2 3 2 4 34.18 1.61 2.6232 0 8 4 4 34.34 3.60 2.6111 0 9 2 4 34.36 5.04 2.6101 -1 4 7 4 34.42 11.63 2.6054 2 1 3 4 34.80 5.01 2.5780 1 8 2 4 34.80 9.09 2.5778 2 5 0 4 35.03 9.15 2.5615 2 2 3 4 35.04 7.39 2.5612 -2 3 5 4 35.15 1.65 2.5531 -1 7 5 4 35.17 1.47 2.5520 0 2 8 4 35.18 10.10 2.5511 1 4 6 4 35.19 4.34 2.5503 -1 6 6 4 35.24 6.71 2.5466 -2 5 3 4 35.69 2.38 2.5158 -1 2 8 4 35.71 4.40 2.5144 1 7 4 4 35.74 8.93 2.5122 -2 1 6 4 36.03 1.83 2.4930 2 3 3 4 36.38 7.36 2.4695 -1 9 1 4 36.58 3.62 2.4564 0 7 6 4 36.76 2.67 2.4447 2 0 4 2 36.84 6.42 2.4395 -1 9 2 4 36.96 1.12 2.4324 2 1 4 4 36.97 2.50 2.4313 2 6 0 4 37.04 1.60 2.4272 0 10 0 2 37.30 3.26 2.4110 -2 3 6 4 37.51 7.07 2.3979 0 4 8 4 37.54 1.29 2.3960 0 9 4 4 37.72 7.26 2.3849 -1 7 6 4 37.82 2.52 2.3790 -1 9 3 4 38.00 1.28 2.3678 -1 4 8 4 38.47 4.96 2.3401 -2 1 7 4 38.54 1.45 2.3358 -2 6 4 4 38.61 1.39 2.3318 -2 4 6 4 38.87 6.33 2.3169 1 4 7 4 39.04 1.03 2.3070 -2 7 1 4 39.17 4.27 2.2999 -1 1 9 4 39.18 4.11 2.2990 0 5 8 4 39.23 4.47 2.2964 2 6 2 4 39.31 1.34 2.2918 0 10 3 4 39.40 5.17 2.2870 0 8 6 4 39.40 3.06 2.2868 2 7 0 4 39.54 11.56 2.2790 0 2 9 4 39.66 4.35 2.2726 1 9 3 4 39.72 3.21 2.2695 -1 2 9 4 39.84 2.64 2.2628 2 1 5 4 39.93 1.18 2.2577 -2 3 7 4 39.99 1.96 2.2544 1 10 0 4 40.13 7.02 2.2471 1 1 8 4 40.15 1.46 2.2458 -2 6 5 4 40.37 4.78 2.2344 -1 10 2 4 40.44 3.47 2.2304 0 3 9 4 40.47 1.30 2.2290 -1 8 6 4 40.61 2.17 2.2215 -1 3 9 4 41.08 1.29 2.1975 1 8 5 4 41.14 2.21 2.1941 -1 9 5 4 41.18 3.88 2.1922 -2 4 7 4 41.26 1.08 2.1880 2 3 5 4 41.35 2.01 2.1835 2 5 4 4 41.54 1.59 2.1740 1 10 2 4 41.63 1.74 2.1694 1 9 4 4 41.84 3.68 2.1591 -1 4 9 4 41.84 1.02 2.1588 0 11 2 4 42.43 1.01 2.1303 -2 7 5 4 42.50 2.14 2.1272 0 8 7 4 42.61 2.60 2.1216 -1 10 4 4 43.00 2.20 2.1034 0 11 3 4 43.11 1.62 2.0985 0 10 5 4 43.22 1.75 2.0931 -1 8 7 4 43.24 3.24 2.0923 2 6 4 4 43.28 1.04 2.0906 2 7 3 4 43.50 4.59 2.0806 0 1 10 4 43.58 1.56 2.0767 -1 11 1 4 43.64 1.23 2.0743 1 11 0 4 43.98 2.92 2.0587 -1 11 2 4 44.00 1.22 2.0580 0 2 10 4 44.07 1.47 2.0549 -2 4 8 4 44.10 1.27 2.0535 2 8 2 4 44.14 2.03 2.0518 1 11 1 4 44.26 3.35 2.0464 1 5 8 4 44.35 4.21 2.0423 2 3 6 4 44.36 3.74 2.0419 1 1 9 4 44.86 2.53 2.0206 1 2 9 4 45.03 11.38 2.0132 0 12 1 4 45.04 4.52 2.0127 0 6 9 4 45.08 2.26 2.0112 1 11 2 4 45.20 1.32 2.0061 -1 6 9 4 45.27 2.26 2.0030 -2 9 3 4 45.50 1.70 1.9935 2 4 6 4 45.56 1.62 1.9909 0 10 6 4 46.02 7.94 1.9721 -1 9 7 4 46.09 3.24 1.9695 -1 11 4 4 46.14 1.04 1.9672 3 3 0 4 46.28 7.15 1.9618 -1 8 8 4 46.36 1.12 1.9586 3 2 1 4 46.44 3.35 1.9555 1 11 3 4 46.55 4.98 1.9510 0 11 5 4 46.68 1.17 1.9459 -2 7 7 4 46.68 2.09 1.9458 -3 4 1 4 46.76 2.77 1.9429 -3 2 5 4 47.02 2.05 1.9325 1 8 7 4 47.31 1.28 1.9212 3 1 2 4 47.36 1.33 1.9193 1 12 0 4 47.54 1.02 1.9125 -3 3 5 4 47.68 1.30 1.9073 -3 0 6 2 47.71 2.36 1.9062 2 3 7 4 47.78 1.57 1.9034 3 2 2 4 47.95 2.71 1.8973 -3 5 2 4 48.07 1.65 1.8926 0 1 11 4 48.09 9.83 1.8919 -3 5 1 4 48.22 2.24 1.8871 -3 5 3 4 48.24 1.23 1.8867 -2 0 10 2 48.48 1.18 1.8777 -1 12 3 4 48.54 2.27 1.8756 0 9 8 4 48.56 22.07 1.8748 3 3 2 4 48.65 5.93 1.8717 -2 5 9 4 48.72 3.06 1.8691 1 1 10 4 48.91 2.37 1.8621 -3 5 4 4 48.94 2.50 1.8611 -1 9 8 4 48.98 3.60 1.8596 0 13 1 4 48.99 2.57 1.8595 -1 6 10 4 49.02 1.52 1.8584 -2 8 7 4 49.18 1.24 1.8527 1 2 10 4 49.45 2.60 1.8431 0 8 9 4 49.59 1.44 1.8382 3 2 3 4 49.67 4.02 1.8354 -1 12 4 4 49.78 3.29 1.8318 -1 11 6 4 49.78 2.99 1.8317 -3 6 1 4 49.94 2.92 1.8263 1 3 10 4 50.11 3.76 1.8204 0 12 5 4 50.32 1.17 1.8133 -2 6 9 4 50.35 3.13 1.8124 3 3 3 4 50.36 1.03 1.8118 0 4 11 4 50.38 1.94 1.8113 2 9 4 4 50.57 1.26 1.8051 -2 10 5 4 50.67 3.41 1.8016 -2 4 10 4 51.13 2.36 1.7864 -1 13 1 4 51.30 4.40 1.7811 2 3 8 4 51.35 4.71 1.7793 -1 5 11 4 51.56 1.38 1.7725 -2 8 8 4 51.62 2.20 1.7705 1 13 1 4 51.75 2.30 1.7665 3 2 4 4 51.84 1.73 1.7635 -3 7 3 4 51.99 1.61 1.7589 0 9 9 4 52.13 6.23 1.7545 -1 9 9 4 52.27 1.01 1.7501 -2 10 6 4 52.46 1.02 1.7442 1 13 2 4 52.48 1.25 1.7437 1 10 7 4 52.60 1.74 1.7399 3 6 2 4 52.74 1.25 1.7358 0 1 12 4 52.80 1.42 1.7337 0 14 0 2 52.84 1.69 1.7326 2 8 6 4 52.91 1.15 1.7306 2 11 2 4 52.96 2.54 1.7289 -1 6 11 4 53.00 1.72 1.7277 0 14 1 4 53.31 1.80 1.7184 -1 3 12 4 53.54 7.10 1.7117 -3 7 5 4 53.63 3.02 1.7090 2 5 8 4 53.76 1.15 1.7050 -3 8 2 4 54.03 1.09 1.6972 -2 9 8 4 54.20 1.66 1.6924 -2 12 1 4 54.21 1.21 1.6919 -3 4 8 4 54.31 2.01 1.6890 -1 4 12 4 54.38 1.07 1.6870 2 2 9 4 54.82 1.39 1.6745 -1 7 11 4 54.86 1.39 1.6734 -1 10 9 4 54.94 1.05 1.6712 3 3 5 4 54.94 8.84 1.6712 -3 7 6 4 55.28 4.66 1.6617 -2 11 6 4 55.74 1.28 1.6491 1 7 10 4 55.92 1.57 1.6441 3 4 5 4 56.15 1.44 1.6380 2 11 4 4 56.30 1.04 1.6342 -3 9 1 4 56.39 1.19 1.6316 1 9 9 4 56.41 1.13 1.6311 -3 9 3 4 56.60 5.96 1.6261 3 1 6 4 57.11 3.01 1.6127 -1 6 12 4 57.22 2.74 1.6099 -2 3 12 4 57.38 1.71 1.6058 -3 0 10 2 57.67 1.39 1.5986 0 6 12 4 57.78 1.11 1.5956 1 1 12 4 58.01 1.21 1.5898 -1 12 8 4 58.19 1.92 1.5854 1 2 12 4 58.59 1.40 1.5756 0 3 13 4 58.60 1.58 1.5754 -1 14 5 4 58.87 1.79 1.5687 1 3 12 4 58.88 1.02 1.5684 -1 13 7 4 58.88 2.30 1.5684 -1 7 12 4 59.53 1.24 1.5529 0 4 13 4 59.55 1.21 1.5524 -3 4 10 4 59.55 1.04 1.5524 0 9 11 4 59.67 1.56 1.5496 3 1 7 4 60.24 1.26 1.5362 1 15 2 4 60.34 1.02 1.5341 -4 1 1 4 60.57 1.01 1.5288 -3 10 5 4 60.87 5.01 1.5218 -1 12 9 4 61.07 1.89 1.5173 -1 15 4 4 61.32 3.24 1.5118 -2 3 13 4 61.41 1.90 1.5099 -1 1 14 4 62.45 2.52 1.4871 -1 15 5 4 63.27 1.94 1.4698 2 3 11 4 63.38 2.30 1.4674 3 2 8 4 63.79 1.10 1.4591 2 10 8 4 63.99 1.19 1.4550 -4 2 7 4 64.13 1.27 1.4521 -1 13 9 4 64.17 1.59 1.4513 2 4 11 4 64.72 1.15 1.4403 2 9 9 4 65.31 1.04 1.4287 1 11 10 4 66.05 1.29 1.4146 1 8 12 4 66.37 1.83 1.4084 -2 15 4 4 66.67 1.08 1.4028 -4 6 6 4 66.91 1.51 1.3984 2 13 6 4 67.48 1.10 1.3879 -2 15 5 4 67.63 1.42 1.3853 -1 17 2 4 68.04 1.69 1.3779 -4 6 7 4 68.27 1.03 1.3738 -2 13 9 4 68.35 1.31 1.3725 -2 8 13 4 68.40 1.18 1.3715 -4 3 9 4 68.46 1.07 1.3705 -4 8 4 4 69.09 1.03 1.3595 -2 1 15 4 69.09 1.16 1.3595 1 15 7 4 69.27 1.13 1.3564 -4 4 9 4 69.77 1.02 1.3479 -4 1 10 4 70.23 2.11 1.3402 -2 16 4 4 70.41 1.30 1.3373 0 18 2 4 71.41 1.04 1.3209 4 4 5 4 71.70 1.20 1.3164 1 6 14 4 72.03 1.20 1.3110 -2 5 15 4 72.27 1.48 1.3073 2 9 11 4 72.38 1.22 1.3057 3 14 1 4 73.00 1.34 1.2960 4 8 3 4 73.54 1.28 1.2879 -4 10 5 4 74.52 1.52 1.2733 -4 10 6 4 75.38 1.06 1.2609 -3 14 7 4 75.72 1.15 1.2561 -3 1 15 4 75.84 1.42 1.2544 1 12 12 4 76.41 1.15 1.2465 4 6 6 4 76.60 2.14 1.2438 1 6 15 4 77.76 1.22 1.2281 3 11 8 4 77.79 1.06 1.2278 3 13 6 4 78.65 1.28 1.2165 2 10 12 4 82.43 1.52 1.1700 -4 2 14 4 83.59 1.27 1.1567 3 14 7 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.