Paracelsian Smith J V Acta Crystallographica 6 (1953) 613-620 The crystal structure of paracelsian, BaAl2Si2O8 Locality: Benallt Mine, near Rhiw, Carnarvonshire, U.K. _database_code_amcsd 0009156 CELL PARAMETERS: 9.0760 9.5830 8.5780 90.000 90.000 90.000 SPACE GROUP: Pnam X-RAY WAVELENGTH: 1.541838 Cell Volume: 746.074 Density (g/cm3): 3.342 MAX. ABS. INTENSITY / VOLUME**2: 21.68912357 RIR: 2.113 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.44 31.71 6.5897 1 1 0 4 13.86 36.07 6.3914 0 1 1 4 16.97 12.00 5.2257 1 1 1 8 18.52 1.76 4.7915 0 2 0 2 22.16 100.00 4.0113 2 0 1 4 23.42 73.91 3.7990 1 2 1 8 24.05 3.30 3.7002 2 1 1 8 24.77 64.33 3.5947 1 1 2 8 27.06 16.66 3.2948 2 2 0 4 27.92 11.37 3.1957 0 2 2 4 28.64 7.41 3.1171 2 0 2 4 29.03 3.95 3.0757 2 2 1 8 29.64 21.21 3.0143 1 2 2 8 29.65 6.81 3.0132 1 3 0 4 29.85 51.76 2.9935 0 3 1 4 30.15 32.13 2.9642 2 1 2 8 31.00 2.19 2.8850 3 1 0 4 32.68 7.80 2.7400 0 1 3 4 32.75 40.45 2.7345 3 1 1 8 34.18 23.65 2.6230 1 1 3 8 34.32 8.50 2.6129 2 2 2 8 34.33 12.44 2.6121 2 3 0 4 35.08 21.29 2.5581 3 2 0 4 36.44 1.35 2.4655 1 3 2 8 37.54 11.27 2.3958 0 4 0 2 37.57 10.12 2.3938 3 1 2 8 37.96 25.39 2.3702 1 2 3 8 38.38 2.55 2.3456 2 1 3 8 39.72 2.29 2.2690 4 0 0 2 40.33 5.54 2.2363 1 4 1 8 40.43 25.00 2.2309 2 3 2 8 41.08 17.18 2.1970 3 2 2 8 41.09 2.43 2.1966 3 3 0 4 41.15 7.63 2.1936 4 0 1 4 41.83 11.68 2.1595 2 2 3 8 42.14 11.93 2.1445 0 0 4 2 42.27 3.41 2.1383 4 1 1 8 42.43 4.86 2.1305 0 3 3 4 44.03 6.51 2.0568 2 4 1 8 44.43 7.19 2.0392 1 1 4 8 44.45 3.73 2.0382 1 4 2 8 44.62 7.58 2.0309 3 1 3 8 45.21 3.90 2.0056 4 0 2 4 46.25 2.44 1.9631 4 1 2 8 46.39 2.17 1.9574 0 2 4 4 47.12 3.37 1.9285 2 3 3 8 47.52 5.12 1.9134 1 2 4 8 47.70 5.55 1.9065 3 2 3 8 47.87 1.34 1.9004 2 1 4 8 47.89 2.72 1.8995 2 4 2 8 48.47 5.88 1.8782 3 4 0 4 48.55 12.37 1.8752 1 5 0 4 48.68 2.72 1.8705 0 5 1 4 49.25 5.22 1.8501 4 2 2 8 49.26 3.89 1.8498 4 3 0 4 49.69 2.55 1.8347 3 4 1 8 49.77 2.18 1.8320 1 5 1 8 50.47 3.84 1.8083 4 3 1 8 50.72 6.44 1.7999 1 4 3 8 51.22 7.91 1.7835 5 1 0 4 51.78 1.52 1.7656 2 5 0 4 52.35 6.27 1.7476 4 1 3 8 52.40 1.18 1.7461 5 1 1 8 52.54 2.59 1.7419 3 3 3 8 53.24 5.20 1.7204 3 4 2 8 53.32 2.28 1.7182 1 5 2 8 53.86 1.35 1.7023 2 4 3 8 53.98 1.82 1.6986 4 3 2 8 55.11 6.21 1.6664 4 2 3 8 55.16 4.99 1.6652 5 2 1 8 55.44 4.01 1.6575 2 3 4 8 55.83 1.80 1.6468 5 1 2 8 55.95 4.18 1.6434 3 2 4 8 57.42 10.59 1.6048 2 0 5 4 57.69 2.86 1.5979 0 4 4 4 57.72 2.57 1.5972 0 6 0 2 57.97 12.93 1.5910 3 5 1 8 58.00 3.97 1.5902 1 2 5 8 58.67 2.59 1.5737 1 4 4 8 58.82 1.31 1.5698 3 4 3 8 58.90 1.95 1.5681 1 5 3 8 59.29 1.95 1.5585 4 0 4 4 59.52 9.88 1.5531 4 3 3 8 60.15 1.26 1.5383 4 1 4 8 60.17 1.05 1.5379 4 4 2 8 61.19 2.74 1.5147 3 5 2 8 61.25 1.17 1.5132 5 1 3 8 61.28 2.72 1.5127 6 0 0 2 61.34 6.83 1.5114 0 3 5 4 61.55 1.58 1.5066 2 6 0 4 62.00 1.75 1.4968 0 6 2 4 62.60 3.46 1.4839 2 6 1 8 63.04 5.93 1.4746 3 1 5 8 63.16 1.24 1.4720 6 1 1 8 63.76 1.53 1.4596 5 2 3 8 64.40 1.45 1.4468 5 4 0 4 65.26 4.23 1.4297 0 0 6 2 65.38 1.63 1.4274 4 4 3 8 65.42 3.74 1.4267 5 4 1 8 65.69 2.16 1.4214 2 6 2 8 66.14 2.24 1.4129 3 4 4 8 66.20 2.51 1.4117 1 5 4 8 66.79 2.96 1.4007 4 3 4 8 66.98 1.15 1.3972 1 1 6 8 67.83 1.11 1.3817 5 3 3 8 68.42 3.82 1.3712 5 1 4 8 68.58 1.86 1.3685 4 0 5 4 68.65 1.45 1.3672 6 2 2 8 69.54 1.67 1.3519 0 7 1 4 69.64 3.05 1.3501 6 3 1 8 70.42 2.80 1.3371 6 0 3 4 70.65 1.80 1.3333 2 4 5 8 70.67 4.08 1.3329 2 6 3 8 71.60 4.18 1.3179 5 5 0 4 72.58 3.18 1.3026 6 3 2 8 73.33 1.13 1.2910 5 4 3 8 73.34 3.66 1.2909 1 7 2 8 74.00 1.82 1.2809 0 6 4 4 74.18 1.08 1.2783 0 5 5 4 74.70 1.84 1.2707 7 1 1 8 75.86 3.99 1.2541 2 3 6 8 75.91 1.00 1.2534 2 7 2 8 76.20 4.44 1.2494 4 6 2 8 76.30 5.05 1.2480 3 2 6 8 77.15 1.09 1.2364 5 1 5 8 77.31 1.34 1.2343 3 7 1 8 77.56 1.81 1.2308 7 1 2 8 78.11 2.68 1.2235 1 7 3 8 79.42 1.76 1.2067 5 2 5 8 79.83 4.03 1.2015 7 2 2 8 80.92 2.86 1.1880 4 6 3 8 81.80 7.39 1.1775 3 5 5 8 81.82 1.64 1.1772 1 2 7 8 81.89 1.32 1.1764 1 8 1 8 82.26 2.09 1.1720 7 1 3 8 83.94 1.61 1.1528 6 3 4 8 84.72 1.01 1.1441 0 3 7 4 84.81 1.31 1.1432 3 7 3 8 85.33 1.77 1.1376 3 4 6 8 85.39 3.10 1.1369 1 5 6 8 86.72 1.49 1.1228 5 5 4 8 87.43 1.09 1.1155 5 1 6 8 87.44 1.27 1.1155 4 6 4 8 87.61 1.95 1.1137 3 8 0 4 88.38 1.66 1.1060 5 4 5 8 88.78 1.56 1.1020 7 4 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.