Paracelsian Chiari G, Gazzoni G, Craig J R, Gibbs G V, Louisnathan S J American Mineralogist 70 (1985) 969-974 Two independent refinements of the structure of paracelsian, BaAl2Si2O8 Locality: Benallt Mine, Carnarvonshire, U.K. Sample: CG refinement _database_code_amcsd 0000997 CELL PARAMETERS: 9.0720 9.5880 8.5770 90.000 90.210 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 746.042 Density (g/cm3): 3.342 MAX. ABS. INTENSITY / VOLUME**2: 12.37082510 RIR: 1.205 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.44 55.32 6.5897 1 1 0 4 13.85 60.41 6.3925 0 1 1 4 16.95 11.33 5.2322 -1 1 1 4 16.99 8.73 5.2188 1 1 1 4 18.51 4.41 4.7940 0 2 0 2 21.67 1.25 4.1003 2 1 0 4 22.14 81.08 4.0158 -2 0 1 2 22.20 100.00 4.0037 2 0 1 2 23.39 80.23 3.8025 -1 2 1 4 23.43 61.77 3.7973 1 2 1 4 24.03 4.44 3.7041 -2 1 1 4 24.09 1.65 3.6945 2 1 1 4 24.74 60.36 3.5987 -1 1 2 4 24.80 56.90 3.5900 1 1 2 4 27.06 28.62 3.2949 2 2 0 4 27.91 19.74 3.1962 0 2 2 4 28.59 7.38 3.1219 -2 0 2 2 28.70 6.87 3.1105 2 0 2 2 29.01 3.76 3.0785 -2 2 1 4 29.06 3.19 3.0730 2 2 1 4 29.61 23.04 3.0172 -1 2 2 4 29.64 10.55 3.0144 1 3 0 4 29.66 20.94 3.0120 1 2 2 4 29.83 93.55 2.9948 0 3 1 4 30.10 24.74 2.9685 -2 1 2 4 30.21 26.73 2.9587 2 1 2 4 31.01 3.61 2.8839 3 1 0 4 32.69 16.22 2.7398 0 1 3 4 32.73 36.19 2.7364 -3 1 1 4 32.80 35.83 2.7307 3 1 1 4 34.15 23.09 2.6253 -1 1 3 4 34.22 20.35 2.6202 1 1 3 4 34.28 8.75 2.6161 -2 2 2 4 34.32 23.89 2.6126 2 3 0 4 34.37 8.64 2.6094 2 2 2 4 35.09 40.81 2.5577 3 2 0 4 36.41 1.53 2.4675 -1 3 2 4 36.45 1.16 2.4647 1 3 2 4 36.63 1.08 2.4531 -3 2 1 4 37.52 9.94 2.3970 -3 1 2 4 37.52 20.29 2.3970 0 4 0 2 37.65 8.75 2.3893 3 1 2 4 37.93 21.36 2.3721 -1 2 3 4 37.99 25.13 2.3683 1 2 3 4 38.32 3.83 2.3488 -2 1 3 4 38.44 1.94 2.3415 2 1 3 4 38.86 1.13 2.3175 1 4 0 4 39.74 5.16 2.2680 4 0 0 2 40.30 4.61 2.2378 -1 4 1 4 40.32 5.80 2.2367 1 4 1 4 40.39 23.58 2.2333 -2 3 2 4 40.47 23.37 2.2291 2 3 2 4 41.03 18.13 2.1997 -3 2 2 4 41.09 4.55 2.1966 3 3 0 4 41.13 7.46 2.1946 -4 0 1 2 41.15 18.70 2.1937 3 2 2 4 41.21 7.81 2.1906 4 0 1 2 41.78 10.30 2.1622 -2 2 3 4 41.89 9.88 2.1565 2 2 3 4 42.14 24.09 2.1442 0 0 4 2 42.24 3.37 2.1393 -4 1 1 4 42.32 3.06 2.1356 4 1 1 4 42.42 8.83 2.1308 0 3 3 4 43.24 2.50 2.0923 0 4 2 4 43.99 6.85 2.0582 -2 4 1 4 44.03 6.42 2.0566 2 4 1 4 44.39 6.71 2.0406 -1 1 4 4 44.42 3.02 2.0396 -1 4 2 4 44.45 2.96 2.0380 1 4 2 4 44.47 6.86 2.0374 1 1 4 4 44.55 6.76 2.0339 -3 1 3 4 44.71 7.40 2.0268 3 1 3 4 45.16 3.83 2.0079 -4 0 2 2 45.30 3.57 2.0018 4 0 2 2 46.19 1.92 1.9653 -4 1 2 4 46.33 2.13 1.9596 4 1 2 4 46.39 3.97 1.9574 0 2 4 4 47.07 2.49 1.9307 -2 3 3 4 47.17 3.22 1.9266 2 3 3 4 47.49 3.95 1.9147 -1 2 4 4 47.56 4.87 1.9120 1 2 4 4 47.63 5.55 1.9091 -3 2 3 4 47.79 5.20 1.9033 3 2 3 4 47.80 2.23 1.9027 -2 1 4 4 47.84 2.23 1.9012 -2 4 2 4 47.91 2.47 1.8987 2 4 2 4 47.94 1.37 1.8975 2 1 4 4 48.46 10.52 1.8784 3 4 0 4 48.52 23.24 1.8761 1 5 0 4 48.65 5.04 1.8714 0 5 1 4 49.20 5.70 1.8520 -4 2 2 4 49.27 8.08 1.8496 4 3 0 4 49.33 4.73 1.8473 4 2 2 4 49.66 2.49 1.8358 -3 4 1 4 49.71 2.08 1.8341 3 4 1 4 49.74 2.31 1.8331 -1 5 1 4 49.76 2.32 1.8325 1 5 1 4 50.44 4.46 1.8091 -4 3 1 4 50.51 4.07 1.8069 4 3 1 4 50.68 7.31 1.8011 -1 4 3 4 50.73 6.29 1.7995 1 4 3 4 51.24 14.99 1.7827 5 1 0 4 51.76 2.54 1.7663 2 5 0 4 52.27 5.42 1.7501 -4 1 3 4 52.46 1.23 1.7442 5 1 1 4 52.47 2.52 1.7441 -3 3 3 4 52.47 5.79 1.7441 4 1 3 4 52.61 2.06 1.7396 3 3 3 4 53.19 4.04 1.7221 -3 4 2 4 53.28 2.31 1.7193 -1 5 2 4 53.28 5.29 1.7192 3 4 2 4 53.31 2.12 1.7184 1 5 2 4 53.80 1.33 1.7039 -2 4 3 4 53.90 1.92 1.7011 2 4 3 4 53.93 2.16 1.7002 -4 3 2 4 54.05 1.71 1.6965 4 3 2 4 54.33 1.12 1.6886 0 1 5 4 55.03 5.36 1.6687 -4 2 3 4 55.14 5.46 1.6657 -5 2 1 4 55.22 5.40 1.6636 5 2 1 4 55.22 5.46 1.6634 4 2 3 4 55.37 4.00 1.6592 -2 3 4 4 55.50 4.00 1.6558 2 3 4 4 55.77 1.97 1.6483 -5 1 2 4 55.80 1.66 1.6474 4 4 0 4 55.87 3.39 1.6457 -3 2 4 4 55.93 2.11 1.6441 5 1 2 4 56.05 4.79 1.6407 3 2 4 4 57.36 9.48 1.6064 -2 0 5 2 57.51 12.10 1.6025 2 0 5 2 57.68 5.80 1.5981 0 4 4 4 57.69 5.04 1.5980 0 6 0 2 57.93 11.63 1.5919 -3 5 1 4 57.96 4.59 1.5911 -1 2 5 4 57.98 14.02 1.5908 3 5 1 4 58.04 3.20 1.5892 1 2 5 4 58.63 3.31 1.5746 -1 4 4 4 58.69 2.64 1.5732 1 4 4 4 58.85 2.20 1.5691 -1 5 3 4 58.89 1.28 1.5683 3 4 3 4 58.90 1.85 1.5680 1 5 3 4 59.19 2.52 1.5610 -4 0 4 2 59.43 2.08 1.5553 4 0 4 2 59.44 10.79 1.5551 -4 3 3 4 59.62 9.11 1.5508 4 3 3 4 60.05 1.83 1.5407 -4 1 4 4 60.11 1.14 1.5392 -4 4 2 4 60.29 1.12 1.5352 4 1 4 4 61.13 2.67 1.5160 -3 5 2 4 61.17 1.06 1.5152 -5 1 3 4 61.22 2.25 1.5140 3 5 2 4 61.31 5.59 1.5120 6 0 0 2 61.34 13.27 1.5114 0 3 5 4 61.53 2.51 1.5072 2 6 0 4 61.78 1.01 1.5017 2 5 3 4 61.97 4.04 1.4974 0 6 2 4 62.15 1.25 1.4935 6 1 0 4 62.56 3.53 1.4848 -2 6 1 4 62.59 3.74 1.4842 2 6 1 4 62.95 6.31 1.4766 -3 1 5 4 63.16 5.52 1.4720 3 1 5 4 63.24 1.42 1.4705 6 1 1 4 63.67 2.06 1.4614 -5 2 3 4 63.89 1.79 1.4570 5 2 3 4 64.40 2.92 1.4467 5 4 0 4 65.27 7.63 1.4295 0 0 6 2 65.29 1.66 1.4291 -4 4 3 4 65.39 3.22 1.4272 -5 4 1 4 65.46 4.17 1.4258 5 4 1 4 65.46 1.85 1.4258 4 4 3 4 65.63 2.27 1.4225 -2 6 2 4 65.69 2.02 1.4214 2 6 2 4 66.05 3.17 1.4145 -3 4 4 4 66.16 2.81 1.4125 -1 5 4 4 66.21 3.07 1.4114 1 5 4 4 66.22 2.18 1.4114 3 4 4 4 66.68 2.58 1.4026 -4 3 4 4 66.91 3.35 1.3985 4 3 4 4 66.94 1.64 1.3978 -1 1 6 4 67.03 1.18 1.3962 1 1 6 4 68.02 1.13 1.3783 1 6 3 4 68.30 4.22 1.3733 -5 1 4 4 68.46 1.84 1.3705 -4 0 5 2 68.58 3.78 1.3684 5 1 4 4 68.59 1.39 1.3682 -6 2 2 4 68.73 2.04 1.3657 4 0 5 2 68.75 1.47 1.3653 6 2 2 4 69.50 3.57 1.3526 0 7 1 4 69.62 3.40 1.3504 -6 3 1 4 69.70 3.46 1.3490 6 3 1 4 70.33 2.62 1.3386 -6 0 3 2 70.57 2.28 1.3346 6 0 3 2 70.58 2.03 1.3345 -2 4 5 4 70.61 4.48 1.3339 -2 6 3 4 70.69 4.07 1.3326 2 6 3 4 70.71 2.03 1.3322 2 4 5 4 71.60 8.83 1.3179 5 5 0 4 72.02 1.64 1.3112 2 7 0 4 72.44 1.01 1.3047 4 4 4 4 72.52 3.44 1.3035 -6 3 2 4 72.68 3.12 1.3010 6 3 2 4 73.24 1.33 1.2924 -5 4 3 4 73.29 3.82 1.2917 -1 7 2 4 73.31 3.98 1.2913 1 7 2 4 73.44 1.23 1.2893 5 4 3 4 73.98 3.82 1.2813 0 6 4 4 74.17 1.98 1.2785 0 5 5 4 74.69 2.38 1.2708 -7 1 1 4 74.79 2.07 1.2695 7 1 1 4 75.79 4.01 1.2552 -2 3 6 4 75.85 1.25 1.2543 -2 7 2 4 75.90 1.29 1.2536 2 7 2 4 75.95 5.14 1.2529 2 3 6 4 76.13 5.01 1.2504 -4 6 2 4 76.19 5.41 1.2495 -3 2 6 4 76.24 4.71 1.2489 4 6 2 4 76.43 6.14 1.2462 3 2 6 4 77.01 1.03 1.2383 -5 1 5 4 77.25 1.60 1.2350 -3 7 1 4 77.29 1.52 1.2344 3 7 1 4 77.51 1.96 1.2316 -7 1 2 4 77.69 1.71 1.2291 7 1 2 4 77.79 1.46 1.2277 0 4 6 4 78.06 2.60 1.2242 -1 7 3 4 78.10 2.96 1.2237 1 7 3 4 79.28 1.69 1.2085 -5 2 5 4 79.60 2.42 1.2043 5 2 5 4 79.77 4.66 1.2022 -7 2 2 4 79.96 3.83 1.1999 7 2 2 4 80.07 1.56 1.1985 0 8 0 2 80.83 2.76 1.1891 -4 6 3 4 80.99 2.86 1.1872 4 6 3 4 81.69 7.29 1.1787 -3 5 5 4 81.78 2.19 1.1776 -1 2 7 4 81.84 2.01 1.1770 -1 8 1 4 81.85 1.24 1.1769 1 8 1 4 81.88 2.06 1.1765 1 2 7 4 81.89 8.27 1.1764 3 5 5 4 82.17 2.56 1.1731 -7 1 3 4 82.44 2.56 1.1699 7 1 3 4 83.81 1.74 1.1543 -6 3 4 4 84.12 1.82 1.1508 6 3 4 4 84.72 1.26 1.1442 -3 7 3 4 84.73 2.53 1.1441 0 3 7 4 84.83 1.62 1.1429 3 7 3 4 85.10 1.17 1.1400 7 4 0 4 85.21 1.77 1.1388 -3 4 6 4 85.34 3.50 1.1375 -1 5 6 4 85.41 2.66 1.1366 1 5 6 4 85.44 1.73 1.1363 3 4 6 4 85.76 1.16 1.1329 -2 6 5 4 85.89 1.02 1.1316 2 6 5 4 86.12 1.14 1.1291 -3 1 7 4 86.39 1.32 1.1263 3 1 7 4 86.40 1.16 1.1261 8 1 0 4 86.59 2.35 1.1241 -5 5 4 4 86.64 1.30 1.1237 8 0 1 2 86.85 1.71 1.1215 5 5 4 4 87.27 1.32 1.1172 -5 1 6 4 87.32 1.50 1.1166 -4 6 4 4 87.53 1.30 1.1145 4 6 4 4 87.56 4.44 1.1142 3 8 0 4 87.65 1.36 1.1133 5 1 6 4 88.23 2.21 1.1075 -5 4 5 4 88.55 1.67 1.1043 5 4 5 4 88.72 1.92 1.1026 -7 4 2 4 88.90 1.87 1.1009 7 4 2 4 89.16 1.18 1.0983 6 6 0 4 89.69 1.13 1.0932 5 7 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.