Baliczunicite Pinto D, Garavelli A, Balic-Zunic T Mineralogical Magazine 79 (2015) 597-611 The crystal structure of baliczunicite, Bi2O(SO4)2, a new natural bismuth oxide sulfate Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy _database_code_amcsd 0020387 CELL PARAMETERS: 6.7386 11.1844 14.1754 80.082 88.462 89.517 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 1052.007 Density (g/cm3): 5.929 MAX. ABS. INTENSITY / VOLUME**2: 53.00660948 RIR: 2.911 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.03 4.14 11.0172 0 1 0 2 9.33 2.36 9.4775 0 1 1 2 13.80 1.43 6.4161 0 1 2 2 14.45 19.67 6.1288 1 0 1 2 14.75 19.87 6.0064 -1 0 1 2 15.39 13.18 5.7569 1 1 0 2 15.44 28.90 5.7372 -1 1 0 2 15.98 49.03 5.5454 1 1 1 2 16.30 46.51 5.4374 -1 1 1 2 17.10 5.16 5.1845 1 -1 1 2 17.31 4.78 5.1237 -1 -1 1 2 18.06 4.67 4.9106 1 0 2 2 18.54 3.07 4.7857 -1 0 2 2 18.85 11.29 4.7073 1 1 2 2 19.35 3.98 4.5868 -1 1 2 2 20.70 9.25 4.2918 1 -1 2 2 20.79 8.53 4.2724 1 2 0 2 20.81 5.06 4.2682 1 2 1 2 20.87 9.20 4.2562 -1 2 0 2 21.07 11.27 4.2155 -1 -1 2 2 22.21 10.74 4.0021 0 -2 2 2 22.72 10.96 3.9143 1 2 2 2 23.17 9.27 3.8384 -1 2 2 2 23.20 9.00 3.8347 1 1 3 2 23.52 1.07 3.7831 -1 0 3 2 23.79 8.45 3.7398 -1 1 3 2 24.24 8.12 3.6724 0 3 0 2 25.39 6.16 3.5082 0 3 2 2 25.41 5.11 3.5050 0 1 4 2 25.45 1.99 3.4999 1 -1 3 2 25.53 100.00 3.4897 0 0 4 2 25.76 12.08 3.4589 1 -2 2 2 25.93 3.56 3.4356 -1 -1 3 2 26.03 15.08 3.4227 -1 -2 2 2 26.13 77.73 3.4101 0 -3 1 2 26.46 73.88 3.3681 2 0 0 2 27.13 1.48 3.2867 0 -2 3 2 27.31 1.31 3.2661 1 3 1 2 27.62 7.00 3.2296 1 3 0 2 27.71 2.23 3.2191 -1 3 0 2 27.73 1.16 3.2174 -2 1 0 2 27.93 2.72 3.1947 2 1 1 2 28.12 4.31 3.1733 0 -1 4 2 28.25 90.98 3.1592 0 3 3 2 28.38 3.19 3.1444 1 1 4 2 28.49 2.04 3.1330 1 3 2 2 28.50 16.58 3.1317 1 0 4 2 28.63 8.53 3.1178 2 -1 1 2 28.88 7.15 3.0912 -2 -1 1 2 28.89 5.69 3.0905 -1 3 2 2 29.04 2.50 3.0753 -1 1 4 2 29.12 12.87 3.0665 -1 0 4 2 29.14 28.21 3.0644 2 0 2 2 29.32 20.97 3.0458 1 -3 1 2 29.39 13.41 3.0391 -1 -3 1 2 29.75 23.97 3.0032 -2 0 2 2 30.45 1.91 2.9355 -1 -2 3 2 30.88 3.11 2.8958 1 -1 4 2 31.07 2.88 2.8785 2 2 0 2 31.42 1.19 2.8469 -2 -1 2 2 31.68 3.80 2.8245 0 1 5 2 32.02 2.63 2.7951 0 4 1 2 32.19 14.83 2.7804 1 -3 2 2 32.20 3.03 2.7798 0 3 4 2 32.29 1.81 2.7727 2 2 2 2 32.39 8.34 2.7637 -1 -3 2 2 32.58 1.65 2.7486 2 1 3 2 32.95 1.89 2.7187 -2 2 2 2 33.45 2.18 2.6787 -2 1 3 2 34.09 9.53 2.6303 1 1 5 2 34.25 4.93 2.6180 0 -4 1 2 34.46 5.08 2.6029 1 0 5 2 34.60 3.69 2.5923 2 -2 2 2 34.62 2.81 2.5912 1 3 4 2 34.63 6.07 2.5900 1 4 1 2 34.77 13.22 2.5800 -1 1 5 2 34.86 1.60 2.5734 -1 4 1 2 35.03 1.95 2.5619 -2 -2 2 2 35.03 1.76 2.5618 -2 -1 3 2 35.10 2.81 2.5563 1 -2 4 2 35.11 9.01 2.5559 -1 0 5 2 35.15 1.46 2.5529 1 4 0 2 35.21 5.08 2.5486 -1 3 4 2 35.57 1.50 2.5238 -1 -2 4 2 35.64 1.14 2.5192 -2 2 3 2 35.69 4.63 2.5160 1 2 5 2 35.81 14.75 2.5079 2 3 1 2 36.12 3.28 2.4870 2 3 0 2 36.20 12.78 2.4811 -2 3 1 2 36.37 1.35 2.4703 -1 2 5 2 36.49 2.78 2.4621 2 1 4 2 36.60 15.30 2.4553 2 0 4 2 36.82 4.40 2.4411 1 -4 1 2 36.85 1.50 2.4392 -1 -4 1 2 37.19 5.67 2.4173 1 4 3 2 37.32 2.10 2.4097 -2 3 2 2 37.48 10.18 2.3995 2 -3 1 2 37.59 14.98 2.3931 -2 -3 1 2 37.59 13.96 2.3928 -2 0 4 2 37.66 8.72 2.3887 -1 4 3 2 38.24 3.15 2.3536 2 2 4 2 38.52 1.24 2.3369 0 -3 4 2 38.54 1.77 2.3358 2 -1 4 2 38.67 7.74 2.3285 2 3 3 2 39.04 1.41 2.3071 1 3 5 2 39.51 14.89 2.2806 -2 3 3 2 40.08 2.77 2.2499 1 4 4 2 40.33 5.25 2.2366 0 5 1 2 40.53 2.20 2.2259 3 0 1 2 40.63 3.80 2.2207 -1 4 4 2 40.84 3.74 2.2094 0 -4 3 2 40.86 2.27 2.2086 -1 1 6 2 40.87 2.45 2.2080 -3 0 1 2 41.06 3.91 2.1985 -3 1 0 2 41.07 4.42 2.1977 -1 -3 4 2 41.15 2.01 2.1936 2 1 5 2 41.31 4.53 2.1853 1 2 6 2 41.64 1.60 2.1690 2 3 4 2 41.65 5.09 2.1687 3 -1 1 2 41.81 1.94 2.1606 2 4 1 2 41.92 7.27 2.1552 -3 -1 1 2 41.93 1.29 2.1548 0 4 5 2 41.95 2.96 2.1537 3 0 2 2 42.03 5.74 2.1497 -1 2 6 2 42.11 1.80 2.1459 2 -2 4 2 42.25 1.18 2.1389 0 5 3 2 42.30 3.04 2.1367 3 1 2 2 42.31 1.29 2.1359 -2 1 5 2 42.35 5.46 2.1341 2 4 2 2 42.48 3.94 2.1278 1 5 1 2 42.59 1.18 2.1227 -2 0 5 2 42.70 4.69 2.1175 -1 5 1 2 42.91 1.61 2.1077 -2 -2 4 2 42.93 5.07 2.1069 1 -1 6 2 42.96 3.42 2.1053 -2 4 2 2 42.97 1.53 2.1050 1 -4 3 2 43.00 3.15 2.1037 2 -3 3 2 43.37 2.40 2.0866 3 2 1 2 43.46 4.02 2.0824 2 -1 5 2 43.46 8.13 2.0821 3 2 0 2 43.53 1.82 2.0793 -2 -3 3 2 43.56 1.87 2.0777 -1 -1 6 2 43.59 8.28 2.0765 -3 2 0 2 43.77 6.13 2.0682 2 -4 1 2 43.82 5.24 2.0662 1 4 5 2 43.85 1.14 2.0648 -3 -1 2 2 43.99 8.40 2.0584 0 -3 5 2 44.37 2.05 2.0417 3 -2 1 2 44.46 8.27 2.0378 3 1 3 2 44.49 3.59 2.0363 -2 -1 5 2 44.71 1.52 2.0268 -2 4 3 2 44.82 6.80 2.0221 0 -2 6 2 45.29 2.86 2.0021 -3 0 3 2 45.43 8.42 1.9963 2 3 5 2 45.47 8.44 1.9948 -3 1 3 2 45.49 1.07 1.9941 0 0 7 2 45.88 11.24 1.9779 1 -3 5 2 46.02 1.36 1.9724 2 -4 2 2 46.27 3.64 1.9621 -2 -4 2 2 46.34 8.11 1.9593 -1 -3 5 2 46.38 1.02 1.9576 2 1 6 2 46.50 1.17 1.9531 1 1 7 2 46.54 1.10 1.9512 1 5 4 2 46.59 6.16 1.9494 -2 3 5 2 46.89 3.49 1.9377 2 0 6 2 46.92 1.27 1.9363 2 -2 5 2 47.20 2.65 1.9256 -1 -2 6 2 47.23 1.22 1.9244 -1 1 7 2 47.37 1.57 1.9192 -1 -5 2 2 47.37 2.37 1.9190 3 3 0 2 47.55 1.92 1.9122 -3 3 1 2 47.65 1.46 1.9086 -2 1 6 2 48.02 14.77 1.8945 0 3 7 2 48.10 2.11 1.8916 -2 0 6 2 48.26 1.94 1.8858 1 4 6 2 48.50 3.35 1.8771 -3 3 2 2 48.67 3.90 1.8708 0 -5 3 2 48.69 1.77 1.8701 2 5 1 2 48.91 2.22 1.8624 3 2 4 2 49.08 1.74 1.8563 -2 5 1 2 49.08 7.87 1.8561 0 6 2 2 49.18 2.74 1.8525 3 -1 4 2 49.53 2.24 1.8404 -3 -2 3 2 49.55 3.38 1.8397 -2 -4 3 2 49.69 2.47 1.8346 1 5 5 2 50.04 1.07 1.8229 -2 -1 6 2 50.18 1.63 1.8182 0 6 3 2 50.19 2.81 1.8175 -3 2 4 2 50.28 1.30 1.8148 -1 5 5 2 50.32 4.05 1.8134 3 -3 2 2 50.38 1.78 1.8113 -1 3 7 2 50.39 2.03 1.8111 0 -4 5 2 50.76 2.44 1.7985 1 6 1 2 50.89 1.52 1.7944 1 6 2 2 50.97 7.22 1.7917 -1 6 1 2 51.19 1.49 1.7846 -2 3 6 2 51.19 2.32 1.7845 -1 6 2 2 51.56 5.06 1.7726 1 -3 6 2 51.61 1.90 1.7711 0 1 8 2 51.77 1.03 1.7660 0 4 7 2 51.91 3.53 1.7615 1 6 3 2 52.01 2.29 1.7583 3 4 1 2 52.07 2.77 1.7563 -1 -3 6 2 52.17 3.94 1.7531 3 -2 4 2 52.28 3.67 1.7499 2 -2 6 2 52.30 1.78 1.7493 -1 6 3 2 52.43 1.53 1.7451 3 2 5 2 52.44 3.98 1.7449 0 0 8 2 52.49 4.51 1.7433 -2 -3 5 2 52.99 3.33 1.7282 3 -3 3 2 52.99 2.49 1.7281 -3 0 5 2 53.02 1.22 1.7270 -3 3 4 2 53.18 5.23 1.7223 -1 -6 1 2 53.19 1.38 1.7219 1 -6 1 2 53.19 4.48 1.7219 -3 -2 4 2 53.29 2.05 1.7190 1 4 7 2 53.33 1.42 1.7178 -2 -2 6 2 53.55 2.09 1.7114 -1 -2 7 2 53.66 2.79 1.7079 -3 -3 3 2 53.75 2.16 1.7053 3 -4 1 2 53.76 1.64 1.7050 0 -6 2 2 53.94 3.64 1.6998 1 0 8 2 54.01 3.14 1.6978 -1 4 7 2 54.18 1.10 1.6930 0 3 8 2 54.68 3.30 1.6786 -1 0 8 2 54.74 2.13 1.6767 -3 4 3 2 54.82 1.19 1.6747 -1 -5 4 2 54.92 1.51 1.6719 0 6 5 2 54.97 1.10 1.6703 -2 4 6 2 54.98 3.87 1.6702 2 3 7 2 55.20 2.33 1.6640 4 1 1 2 55.56 2.33 1.6540 1 -6 2 2 55.63 2.79 1.6521 -4 1 1 2 55.64 1.62 1.6519 4 -1 1 2 55.64 1.43 1.6519 -1 -6 2 2 55.83 4.85 1.6468 4 0 2 2 55.93 1.05 1.6440 -4 -1 1 2 56.06 1.89 1.6404 2 -5 3 2 56.14 1.26 1.6382 0 -3 7 2 56.20 3.60 1.6369 3 0 6 2 56.34 2.06 1.6330 2 6 2 2 56.35 3.96 1.6328 -2 3 7 2 56.39 2.35 1.6316 -1 3 8 2 56.55 4.94 1.6275 -4 0 2 2 56.90 2.95 1.6182 -2 6 2 2 57.01 1.31 1.6155 -1 6 5 2 57.24 1.40 1.6096 -2 6 0 2 57.24 2.11 1.6093 2 6 3 2 57.32 2.43 1.6073 -3 -3 4 2 57.43 3.71 1.6046 2 -4 5 2 57.71 2.54 1.5973 4 2 2 2 57.79 1.77 1.5954 0 7 2 2 57.80 1.53 1.5952 -3 0 6 2 57.82 1.41 1.5946 -2 -3 6 2 57.98 1.10 1.5907 -1 -4 6 2 58.20 2.29 1.5852 2 1 8 2 58.38 1.49 1.5806 2 4 7 2 58.43 5.81 1.5796 0 6 6 2 58.55 1.21 1.5765 -4 2 2 2 58.58 3.69 1.5757 3 5 0 2 58.66 2.20 1.5739 0 7 0 2 58.67 2.74 1.5737 0 1 9 2 58.69 5.60 1.5731 1 -6 3 2 58.70 3.50 1.5728 3 4 5 2 58.73 1.25 1.5722 2 2 8 2 58.85 2.15 1.5692 -1 -6 3 2 58.95 2.09 1.5669 -3 5 2 2 58.96 1.90 1.5665 2 6 4 2 58.97 2.42 1.5663 4 -1 3 2 59.19 1.65 1.5609 3 5 3 2 59.59 1.65 1.5514 -1 4 8 2 59.61 1.13 1.5510 0 0 9 2 59.85 1.65 1.5453 -2 6 4 2 59.94 2.59 1.5432 -4 -1 3 2 59.99 1.04 1.5420 3 -5 1 2 60.01 1.39 1.5417 -3 -5 1 2 60.09 3.28 1.5399 4 3 1 2 60.20 1.72 1.5373 0 7 4 2 60.36 3.21 1.5334 1 2 9 2 60.37 1.65 1.5332 -2 0 8 2 60.56 1.52 1.5289 -3 3 6 2 60.63 3.34 1.5274 -4 3 1 2 60.78 2.80 1.5240 3 1 7 2 60.95 1.39 1.5200 1 0 9 2 60.97 1.48 1.5196 -2 -6 2 2 61.01 2.92 1.5188 3 5 4 2 61.06 1.59 1.5176 2 -1 8 2 61.17 1.10 1.5152 -1 2 9 2 61.46 1.39 1.5087 3 2 7 2 61.69 1.29 1.5037 1 7 4 2 61.72 1.56 1.5030 -1 0 9 2 61.97 1.23 1.4975 0 -4 7 2 62.29 2.13 1.4906 3 4 6 2 62.49 1.40 1.4863 -2 6 5 2 62.61 3.19 1.4838 -3 1 7 2 62.71 1.80 1.4816 0 -7 2 2 63.15 1.22 1.4723 -3 0 7 2 63.20 1.15 1.4712 1 5 8 2 63.99 1.99 1.4550 -3 4 6 2 64.61 1.23 1.4425 -1 6 7 2 64.64 1.19 1.4419 4 4 2 2 64.65 1.24 1.4417 2 6 6 2 64.71 1.56 1.4406 2 1 9 2 64.75 1.06 1.4397 -1 -3 8 2 64.78 1.34 1.4392 4 4 0 2 64.92 2.98 1.4364 -2 7 2 2 65.21 1.93 1.4306 3 -3 6 2 65.33 3.59 1.4283 -3 6 1 2 65.35 2.41 1.4280 2 7 0 2 65.55 1.50 1.4241 3 6 0 2 65.55 1.01 1.4241 -4 4 2 2 65.62 1.04 1.4227 3 6 3 2 65.83 2.38 1.4188 -2 6 6 2 66.22 1.04 1.4114 -2 1 9 2 66.47 1.47 1.4066 2 7 4 2 66.76 2.80 1.4013 4 3 5 2 66.99 1.28 1.3969 1 7 6 2 67.05 2.24 1.3958 -3 -6 1 2 67.08 1.57 1.3952 -2 0 9 2 67.27 2.24 1.3919 -1 -6 5 2 67.45 1.14 1.3886 4 1 6 2 67.57 1.09 1.3863 4 4 4 2 67.59 2.28 1.3861 -1 7 6 2 67.92 1.73 1.3801 -3 -2 7 2 68.04 1.30 1.3779 -1 1 10 2 68.24 1.52 1.3743 4 2 6 2 68.41 1.14 1.3714 -3 4 7 2 68.52 1.05 1.3693 2 6 7 2 68.55 2.70 1.3688 -4 3 5 2 68.71 1.49 1.3662 0 -5 7 2 68.74 1.83 1.3656 -3 -5 4 2 69.10 1.44 1.3593 -4 4 4 2 69.23 2.45 1.3571 2 -7 2 2 69.78 1.02 1.3478 -4 0 6 2 70.38 1.16 1.3377 5 1 1 2 70.49 1.44 1.3358 3 -3 7 2 70.56 1.52 1.3347 -3 3 8 2 70.91 1.85 1.3290 -3 6 5 2 71.69 1.09 1.3165 -1 -3 9 2 71.79 2.23 1.3149 3 -6 3 2 72.02 1.08 1.3113 -3 -3 7 2 72.69 2.06 1.3009 0 -2 10 2 73.97 1.63 1.2815 5 -2 2 2 74.19 1.43 1.2782 3 3 9 2 74.24 1.01 1.2775 3 7 4 2 74.26 1.07 1.2772 4 -1 7 2 74.60 1.48 1.2722 -5 -2 2 2 74.60 1.02 1.2722 4 5 5 2 74.84 1.17 1.2687 0 3 11 2 75.01 1.11 1.2662 1 7 8 2 75.35 1.15 1.2614 3 5 8 2 77.16 1.14 1.2362 0 4 11 2 77.23 1.10 1.2352 -2 -6 6 2 77.62 1.54 1.2301 1 -6 7 2 77.70 1.33 1.2290 5 1 5 2 78.08 2.18 1.2239 1 9 2 2 78.35 1.03 1.2205 1 -3 10 2 78.64 1.41 1.2167 0 6 10 2 79.56 1.21 1.2048 -4 6 4 2 79.66 2.78 1.2036 -1 9 0 2 79.92 2.27 1.2003 -1 9 4 2 79.99 1.19 1.1994 3 0 10 2 80.10 1.18 1.1980 -3 -6 5 2 81.07 1.81 1.1862 3 8 3 2 82.37 1.19 1.1707 2 4 11 2 82.47 1.42 1.1696 -1 -2 11 2 83.71 1.17 1.1554 1 9 6 2 83.79 1.61 1.1544 -1 -9 2 2 84.07 1.37 1.1514 5 5 0 2 84.67 1.01 1.1447 -5 5 2 2 85.87 1.02 1.1318 5 5 4 2 86.34 1.00 1.1268 -5 3 6 2 86.40 1.32 1.1262 -1 7 10 2 86.49 1.03 1.1252 3 7 8 2 87.23 1.04 1.1176 6 1 1 2 87.76 2.05 1.1122 -6 1 1 2 88.93 1.00 1.1005 1 5 12 2 89.24 1.67 1.0976 6 2 2 2 89.28 1.02 1.0971 3 -6 7 2 89.76 1.16 1.0925 3 8 7 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.