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: CLG refinement _database_code_amcsd 0000998 CELL PARAMETERS: 9.0650 9.5680 8.5780 90.000 90.010 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 744.004 Density (g/cm3): 3.351 MAX. ABS. INTENSITY / VOLUME**2: 17.45352687 RIR: 1.696 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.46 38.44 6.5806 1 1 0 4 13.87 43.43 6.3870 0 1 1 4 16.98 8.22 5.2215 -1 1 1 4 16.98 6.04 5.2209 1 1 1 4 18.55 3.27 4.7840 0 2 0 2 22.18 56.94 4.0078 -2 0 1 2 22.18 73.29 4.0072 2 0 1 2 23.44 57.73 3.7946 -1 2 1 4 23.45 42.27 3.7944 1 2 1 4 24.07 3.40 3.6966 -2 1 1 4 24.78 42.81 3.5934 -1 1 2 4 24.78 40.65 3.5930 1 1 2 4 27.10 20.04 3.2903 2 2 0 4 27.94 14.01 3.1935 0 2 2 4 28.65 5.15 3.1156 -2 0 2 2 28.66 4.96 3.1150 2 0 2 2 29.07 2.78 3.0722 -2 2 1 4 29.07 2.24 3.0719 2 2 1 4 29.66 16.94 3.0122 -1 2 2 4 29.66 14.10 3.0119 1 2 2 4 29.69 7.58 3.0086 1 3 0 4 29.89 66.16 2.9894 0 3 1 4 30.17 17.30 2.9625 -2 1 2 4 30.17 19.77 2.9620 2 1 2 4 31.04 2.34 2.8814 3 1 0 4 32.69 11.34 2.7396 0 1 3 4 32.79 25.66 2.7316 -3 1 1 4 32.79 25.84 2.7313 3 1 1 4 34.19 16.71 2.6226 -1 1 3 4 34.19 14.16 2.6223 1 1 3 4 34.35 6.12 2.6107 -2 2 2 4 34.35 6.10 2.6104 2 2 2 4 34.38 17.19 2.6083 2 3 0 4 35.13 29.11 2.5547 3 2 0 4 36.48 1.15 2.4631 -1 3 2 4 37.60 14.46 2.3920 0 4 0 2 37.60 7.25 2.3920 -3 1 2 4 37.61 6.28 2.3916 3 1 2 4 37.98 14.77 2.3692 -1 2 3 4 37.98 18.89 2.3690 1 2 3 4 38.39 2.81 2.3448 -2 1 3 4 38.40 1.24 2.3444 2 1 3 4 39.77 3.78 2.2662 4 0 0 2 40.39 3.21 2.2331 -1 4 1 4 40.39 4.24 2.2331 1 4 1 4 40.47 16.76 2.2287 -2 3 2 4 40.48 16.49 2.2285 2 3 2 4 41.12 12.87 2.1950 -3 2 2 4 41.13 13.40 2.1947 3 2 2 4 41.15 3.11 2.1935 3 3 0 4 41.20 5.15 2.1912 -4 0 1 2 41.20 5.65 2.1910 4 0 1 2 41.85 7.31 2.1584 -2 2 3 4 41.86 7.14 2.1581 2 2 3 4 42.14 17.01 2.1445 0 0 4 2 42.32 2.34 2.1359 -4 1 1 4 42.32 2.10 2.1357 4 1 1 4 42.46 6.22 2.1290 0 3 3 4 43.31 1.78 2.0891 0 4 2 4 44.09 4.91 2.0540 -2 4 1 4 44.09 4.56 2.0539 2 4 1 4 44.43 4.71 2.0390 -1 1 4 4 44.43 4.92 2.0389 1 1 4 4 44.51 2.17 2.0358 -1 4 2 4 44.51 2.17 2.0357 1 4 2 4 44.64 4.78 2.0298 -3 1 3 4 44.65 5.53 2.0294 3 1 3 4 45.25 2.63 2.0039 -4 0 2 2 45.26 2.33 2.0036 4 0 2 2 46.29 1.31 1.9613 -4 1 2 4 46.30 1.67 1.9611 4 1 2 4 46.40 2.86 1.9569 0 2 4 4 47.16 1.66 1.9271 -2 3 3 4 47.17 2.46 1.9269 2 3 3 4 47.53 2.91 1.9129 -1 2 4 4 47.54 3.45 1.9128 1 2 4 4 47.74 4.07 1.9052 -3 2 3 4 47.74 3.50 1.9050 3 2 3 4 47.88 1.62 1.9000 -2 1 4 4 47.95 1.52 1.8973 -2 4 2 4 47.95 1.78 1.8972 2 4 2 4 48.54 7.54 1.8755 3 4 0 4 48.63 16.40 1.8723 1 5 0 4 48.76 3.61 1.8677 0 5 1 4 49.30 4.11 1.8483 -4 2 2 4 49.31 3.27 1.8481 4 2 2 4 49.33 5.63 1.8474 4 3 0 4 49.76 1.77 1.8322 -3 4 1 4 49.77 1.35 1.8322 3 4 1 4 49.85 1.67 1.8293 -1 5 1 4 49.85 1.62 1.8293 1 5 1 4 50.54 3.17 1.8060 -4 3 1 4 50.54 2.84 1.8059 4 3 1 4 50.77 5.20 1.7983 -1 4 3 4 50.77 4.42 1.7982 1 4 3 4 51.29 10.76 1.7813 5 1 0 4 51.86 1.78 1.7629 2 5 0 4 52.39 3.83 1.7464 -4 1 3 4 52.40 4.21 1.7461 4 1 3 4 52.58 1.85 1.7405 -3 3 3 4 52.59 1.49 1.7403 3 3 3 4 53.31 2.75 1.7184 -3 4 2 4 53.31 4.01 1.7183 3 4 2 4 53.39 1.59 1.7160 -1 5 2 4 53.39 1.49 1.7159 1 5 2 4 53.92 1.39 1.7006 2 4 3 4 54.05 1.55 1.6968 -4 3 2 4 54.05 1.22 1.6966 4 3 2 4 55.16 3.77 1.6651 -4 2 3 4 55.17 4.01 1.6649 4 2 3 4 55.23 3.99 1.6632 -5 2 1 4 55.23 3.79 1.6631 5 2 1 4 55.47 2.85 1.6566 -2 3 4 4 55.47 2.88 1.6564 2 3 4 4 55.89 1.38 1.6452 -5 1 2 4 55.89 1.15 1.6451 4 4 0 4 55.89 1.52 1.6450 5 1 2 4 55.98 2.29 1.6426 -3 2 4 4 55.99 3.70 1.6424 3 2 4 4 57.43 6.59 1.6046 -2 0 5 2 57.44 8.95 1.6044 2 0 5 2 57.74 4.09 1.5967 0 4 4 4 57.82 3.55 1.5947 0 6 0 2 58.01 3.38 1.5899 -1 2 5 4 58.01 2.08 1.5898 1 2 5 4 58.06 8.07 1.5887 -3 5 1 4 58.06 10.24 1.5887 3 5 1 4 58.71 2.42 1.5726 -1 4 4 4 58.71 1.78 1.5725 1 4 4 4 58.89 1.01 1.5682 3 4 3 4 58.96 1.58 1.5664 -1 5 3 4 58.97 1.20 1.5664 1 5 3 4 59.32 1.86 1.5578 -4 0 4 2 59.34 1.40 1.5575 4 0 4 2 59.58 7.77 1.5518 -4 3 3 4 59.58 6.14 1.5516 4 3 3 4 60.18 1.33 1.5375 -4 1 4 4 61.27 1.93 1.5128 -3 5 2 4 61.28 1.51 1.5127 3 5 2 4 61.36 9.45 1.5109 0 3 5 4 61.36 4.02 1.5108 6 0 0 2 61.66 1.79 1.5043 2 6 0 4 62.10 2.87 1.4947 0 6 2 4 62.70 2.48 1.4817 -2 6 1 4 62.71 2.68 1.4817 2 6 1 4 63.06 4.40 1.4742 -3 1 5 4 63.07 3.98 1.4740 3 1 5 4 63.25 1.10 1.4702 6 1 1 4 63.82 1.41 1.4584 -5 2 3 4 63.83 1.23 1.4582 5 2 3 4 64.49 2.03 1.4449 5 4 0 4 65.26 5.45 1.4297 0 0 6 2 65.45 1.15 1.4260 -4 4 3 4 65.46 1.31 1.4259 4 4 3 4 65.51 2.18 1.4248 -5 4 1 4 65.51 3.11 1.4248 5 4 1 4 65.79 1.60 1.4195 -2 6 2 4 65.79 1.40 1.4195 2 6 2 4 66.19 2.29 1.4118 -3 4 4 4 66.20 1.51 1.4117 3 4 4 4 66.27 1.95 1.4104 -1 5 4 4 66.27 2.18 1.4104 1 5 4 4 66.84 1.75 1.3997 -4 3 4 4 66.85 2.54 1.3995 4 3 4 4 66.98 1.19 1.3971 -1 1 6 4 68.47 2.99 1.3704 -5 1 4 4 68.48 2.70 1.3701 5 1 4 4 68.60 1.27 1.3680 -4 0 5 2 68.62 1.49 1.3677 4 0 5 2 68.73 1.02 1.3658 -6 2 2 4 68.74 1.12 1.3656 6 2 2 4 69.66 2.49 1.3498 0 7 1 4 69.74 2.49 1.3484 -6 3 1 4 69.74 2.46 1.3484 6 3 1 4 70.49 1.88 1.3359 -6 0 3 2 70.50 1.57 1.3357 6 0 3 2 70.69 1.43 1.3325 -2 4 5 4 70.70 1.45 1.3324 2 4 5 4 70.77 3.22 1.3313 -2 6 3 4 70.77 2.89 1.3313 2 6 3 4 71.71 6.42 1.3161 5 5 0 4 72.19 1.13 1.3086 2 7 0 4 72.67 2.50 1.3011 -6 3 2 4 72.68 2.21 1.3010 6 3 2 4 73.46 2.69 1.2891 -1 7 2 4 73.46 2.87 1.2891 1 7 2 4 74.09 2.73 1.2796 0 6 4 4 74.24 1.39 1.2774 0 5 5 4 74.80 1.69 1.2692 -7 1 1 4 74.81 1.45 1.2691 7 1 1 4 75.89 2.74 1.2537 -2 3 6 4 75.90 3.82 1.2536 2 3 6 4 76.32 3.53 1.2478 -4 6 2 4 76.32 3.28 1.2477 4 6 2 4 76.32 3.76 1.2477 -3 2 6 4 76.33 4.34 1.2475 3 2 6 4 77.44 1.15 1.2325 -3 7 1 4 77.44 1.09 1.2324 3 7 1 4 77.66 1.42 1.2295 -7 1 2 4 77.67 1.23 1.2294 7 1 2 4 77.84 1.05 1.2272 0 4 6 4 78.23 1.83 1.2220 -1 7 3 4 78.23 2.10 1.2219 1 7 3 4 79.47 1.17 1.2060 -5 2 5 4 79.49 1.84 1.2058 5 2 5 4 79.94 3.32 1.2001 -7 2 2 4 79.94 2.60 1.2000 7 2 2 4 80.27 1.12 1.1960 0 8 0 2 81.04 1.94 1.1866 -4 6 3 4 81.04 2.15 1.1865 4 6 3 4 81.83 1.51 1.1771 -1 2 7 4 81.83 1.50 1.1770 1 2 7 4 81.87 5.09 1.1766 -3 5 5 4 81.88 6.05 1.1765 3 5 5 4 82.04 1.48 1.1746 -1 8 1 4 82.36 1.81 1.1709 -7 1 3 4 82.37 1.76 1.1707 7 1 3 4 84.03 1.25 1.1518 -6 3 4 4 84.04 1.27 1.1517 6 3 4 4 84.74 1.76 1.1439 0 3 7 4 84.94 1.21 1.1417 3 7 3 4 85.38 1.26 1.1370 -3 4 6 4 85.39 1.30 1.1369 3 4 6 4 85.44 2.53 1.1363 -1 5 6 4 85.45 1.84 1.1363 1 5 6 4 86.82 1.73 1.1218 -5 5 4 4 86.83 1.18 1.1216 5 5 4 4 87.50 1.02 1.1149 5 1 6 4 87.55 1.11 1.1143 -4 6 4 4 87.77 3.18 1.1121 3 8 0 4 88.46 1.60 1.1052 -5 4 5 4 88.47 1.17 1.1051 5 4 5 4 88.91 1.37 1.1007 -7 4 2 4 88.92 1.34 1.1006 7 4 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.