Titantaramellite Mazzi F, Rossi G American Mineralogist 65 (1980) 123-128 The crystal structure of taramellite Note: y-coordinate of Ba2 changed from .75 to reproduce reported bond lengths Locality: Rush Creek, Fresno County, California, USA _database_code_amcsd 0000773 CELL PARAMETERS: 12.2200 13.9520 7.1280 90.000 90.000 90.000 SPACE GROUP: Pmmn X-RAY WAVELENGTH: 1.541838 Cell Volume: 1215.277 Density (g/cm3): 4.079 MAX. ABS. INTENSITY / VOLUME**2: 18.02441618 RIR: 1.439 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.69 18.42 6.9760 0 2 0 2 13.95 13.70 6.3476 0 1 1 4 14.50 30.46 6.1100 2 0 0 2 15.73 9.07 5.6330 1 1 1 8 17.79 1.28 4.9856 0 2 1 4 19.23 2.76 4.6162 1 2 1 8 20.17 11.81 4.4020 2 1 1 8 20.43 5.84 4.3465 1 3 0 4 22.74 1.14 3.9101 3 1 0 4 22.83 4.63 3.8950 0 3 1 4 23.02 83.96 3.8628 2 2 1 8 23.98 32.07 3.7110 1 3 1 8 24.98 2.89 3.5640 0 0 2 2 25.18 3.52 3.5366 3 0 1 4 25.54 12.53 3.4880 0 4 0 2 26.83 70.71 3.3230 1 1 2 8 27.15 15.97 3.2844 2 3 1 8 28.12 58.31 3.1738 0 2 2 4 28.29 6.85 3.1544 3 2 1 8 28.49 9.09 3.1330 0 4 1 4 29.00 53.91 3.0785 2 0 2 4 29.07 8.20 3.0719 1 2 2 8 29.14 2.36 3.0642 3 3 0 4 29.23 44.92 3.0550 4 0 0 2 29.43 15.28 3.0349 1 4 1 8 29.49 100.00 3.0292 2 4 0 4 31.77 6.49 2.8165 2 2 2 8 31.79 15.25 2.8151 3 3 1 8 31.87 22.53 2.8080 4 0 1 4 31.98 16.19 2.7984 4 2 0 4 32.11 12.57 2.7879 2 4 1 8 32.49 4.48 2.7560 1 3 2 8 32.53 1.34 2.7528 4 1 1 8 32.92 13.71 2.7204 1 5 0 4 33.41 2.19 2.6822 3 0 2 4 34.04 20.07 2.6340 3 1 2 8 34.43 65.70 2.6049 4 2 1 8 34.52 4.54 2.5984 0 5 1 4 35.31 4.62 2.5416 1 5 1 8 35.87 2.76 2.5036 3 2 2 8 36.03 38.60 2.4928 0 4 2 4 37.41 19.16 2.4038 4 3 1 8 37.62 6.51 2.3912 2 5 1 8 38.43 2.52 2.3423 0 1 3 4 38.60 4.39 2.3323 1 0 3 4 38.76 11.08 2.3235 3 3 2 8 39.02 5.21 2.3081 2 4 2 8 39.13 4.20 2.3020 3 5 0 4 39.20 4.70 2.2981 4 4 0 4 39.38 3.16 2.2881 4 1 2 8 40.09 7.38 2.2491 0 2 3 4 40.75 4.70 2.2145 2 0 3 4 40.79 7.42 2.2120 1 2 3 8 40.82 1.84 2.2107 0 6 1 4 41.01 4.51 2.2010 4 2 2 8 41.08 2.64 2.1971 0 5 2 4 41.13 2.77 2.1945 5 2 1 8 41.21 2.01 2.1906 3 5 1 8 41.28 9.36 2.1873 4 4 1 8 41.51 3.52 2.1754 1 6 1 8 41.55 1.38 2.1733 2 6 0 4 41.75 1.15 2.1635 5 3 0 4 41.77 30.21 2.1624 1 5 2 8 42.52 1.13 2.1263 3 4 2 8 42.74 1.17 2.1159 0 3 3 4 42.85 10.57 2.1107 2 2 3 8 43.40 8.54 2.0848 1 3 3 8 43.54 6.50 2.0788 2 6 1 8 43.61 5.28 2.0757 4 3 2 8 43.73 13.96 2.0702 5 3 1 8 44.13 5.95 2.0524 3 0 3 4 44.48 3.23 2.0367 6 0 0 2 45.36 1.86 1.9994 2 3 3 8 45.47 16.26 1.9949 5 1 2 8 46.10 1.37 1.9689 3 2 3 8 46.15 2.21 1.9671 1 7 0 4 46.64 4.05 1.9475 0 6 2 4 46.85 2.72 1.9393 6 1 1 8 46.86 3.08 1.9388 1 4 3 8 46.99 22.98 1.9337 3 5 2 8 47.16 1.96 1.9270 5 4 1 8 47.26 4.38 1.9232 1 6 2 8 47.36 4.04 1.9195 0 7 1 4 47.98 9.81 1.8963 1 7 1 8 48.27 13.90 1.8854 6 2 1 8 48.48 1.92 1.8777 3 3 3 8 48.54 3.36 1.8755 4 0 3 4 49.10 1.70 1.8555 2 6 2 8 49.25 6.05 1.8503 4 6 0 4 49.58 1.91 1.8385 5 5 0 4 50.38 26.04 1.8112 4 2 3 8 50.99 15.94 1.7910 4 6 1 8 51.01 3.15 1.7903 3 7 0 4 51.27 11.20 1.7820 0 0 4 2 51.68 4.48 1.7689 3 4 3 8 51.69 6.39 1.7683 6 0 2 4 51.99 13.05 1.7588 6 4 0 4 52.43 1.17 1.7452 5 4 2 8 52.47 9.55 1.7440 0 8 0 2 52.72 10.47 1.7364 3 7 1 8 53.57 2.84 1.7107 2 0 4 4 53.61 2.19 1.7096 1 2 4 8 53.68 3.17 1.7076 6 4 1 8 53.81 1.61 1.7036 5 0 3 4 54.09 1.95 1.6956 7 0 1 4 55.20 1.95 1.6640 0 3 4 4 55.28 1.35 1.6619 0 6 3 4 55.59 3.37 1.6533 3 5 3 8 55.64 8.69 1.6519 4 4 3 8 55.83 5.08 1.6467 1 6 3 8 56.00 2.89 1.6422 4 6 2 8 56.10 2.31 1.6395 5 6 1 8 56.31 8.34 1.6339 5 5 2 8 56.36 1.13 1.6324 2 8 1 8 57.39 1.74 1.6055 2 3 4 8 57.47 5.80 1.6036 2 6 3 8 57.49 1.51 1.6029 6 5 1 8 57.62 2.15 1.5997 5 3 3 8 57.89 1.42 1.5930 7 3 1 8 58.13 6.52 1.5869 0 4 4 4 59.32 3.30 1.5579 7 1 2 8 59.81 3.32 1.5463 6 0 3 4 60.11 3.56 1.5393 4 0 4 4 60.17 1.63 1.5379 1 9 0 4 60.25 12.52 1.5359 2 4 4 8 60.42 1.84 1.5321 6 6 0 4 60.48 7.96 1.5308 5 4 3 8 60.51 2.39 1.5300 4 1 4 8 60.53 1.40 1.5296 7 2 2 8 60.62 13.48 1.5275 8 0 0 2 61.07 2.13 1.5174 2 8 2 8 61.17 2.72 1.5152 1 7 3 8 61.19 1.41 1.5146 4 8 0 4 61.41 4.33 1.5097 6 2 3 8 61.42 3.94 1.5096 5 7 1 8 61.71 3.02 1.5031 4 2 4 8 61.95 1.84 1.4979 6 6 1 8 62.29 1.40 1.4907 1 5 4 8 62.52 1.40 1.4856 7 3 2 8 62.54 1.63 1.4851 8 1 1 8 62.71 2.64 1.4815 4 8 1 8 63.75 4.22 1.4599 4 6 3 8 64.04 1.28 1.4540 5 5 3 8 64.29 1.43 1.4488 3 9 0 4 64.74 1.01 1.4399 5 0 4 4 65.25 4.57 1.4298 3 7 3 8 65.47 1.49 1.4256 0 0 5 2 65.77 1.39 1.4198 3 9 1 8 65.86 1.28 1.4182 0 1 5 4 66.18 10.61 1.4120 1 9 2 8 66.33 1.62 1.4091 3 5 4 8 66.38 1.29 1.4082 4 4 4 8 66.46 1.47 1.4068 7 0 3 4 66.51 2.41 1.4059 0 8 3 4 66.87 4.14 1.3992 8 4 0 4 67.15 2.35 1.3939 4 8 2 8 67.84 1.78 1.3815 2 1 5 8 68.13 5.66 1.3764 8 2 2 8 68.25 1.38 1.3743 5 6 3 8 68.67 9.01 1.3668 7 5 2 8 68.97 1.86 1.3616 2 2 5 8 69.23 2.84 1.3571 4 9 1 8 69.38 1.12 1.3546 1 3 5 8 70.11 7.84 1.3422 3 9 2 8 70.18 2.53 1.3411 6 0 4 4 70.83 1.12 1.3303 2 3 5 8 70.91 2.30 1.3290 3 8 3 8 71.43 1.66 1.3207 1 7 4 8 71.89 1.30 1.3132 7 7 0 4 72.58 7.13 1.3024 8 4 2 8 73.07 1.96 1.2950 5 7 3 8 73.23 1.07 1.2926 3 3 5 8 73.27 7.07 1.2919 4 0 5 4 73.30 3.78 1.2915 7 7 1 8 73.33 1.11 1.2911 1 9 3 8 73.41 5.00 1.2899 2 4 5 8 73.56 2.59 1.2876 6 6 3 8 73.92 1.56 1.2821 9 3 1 8 74.10 1.82 1.2796 5 5 4 8 74.69 1.61 1.2708 2 10 2 8 74.73 3.09 1.2703 4 2 5 8 74.81 6.48 1.2691 4 10 0 4 75.19 1.27 1.2636 8 2 3 8 75.19 2.80 1.2636 9 1 2 8 75.24 1.09 1.2630 3 7 4 8 75.33 1.27 1.2616 1 11 0 4 75.71 1.26 1.2562 7 5 3 8 76.03 3.07 1.2518 6 4 4 8 76.19 1.24 1.2495 4 10 1 8 76.41 3.58 1.2464 0 8 4 4 76.46 2.51 1.2458 9 4 1 8 76.67 1.20 1.2430 2 5 5 8 76.72 2.23 1.2423 1 11 1 8 77.71 5.70 1.2288 5 9 2 8 78.23 1.26 1.2220 10 0 0 2 78.31 1.07 1.2209 9 5 0 4 78.51 1.58 1.2183 4 7 4 8 79.80 1.64 1.2019 8 6 2 8 80.16 1.04 1.1973 1 10 3 8 80.33 1.01 1.1952 8 7 1 8 80.44 1.84 1.1939 3 11 1 8 80.72 1.16 1.1904 5 3 5 8 81.01 1.64 1.1869 10 2 1 8 81.74 1.04 1.1782 1 1 6 8 82.23 1.83 1.1723 4 5 5 8 82.34 1.33 1.1711 0 2 6 4 82.80 1.95 1.1658 1 2 6 8 82.93 1.83 1.1643 1 9 4 8 83.32 3.42 1.1597 8 0 4 4 83.38 1.20 1.1592 7 9 0 4 83.66 1.95 1.1559 10 0 2 4 83.74 2.21 1.1550 9 5 2 8 83.80 1.91 1.1543 1 7 5 8 83.83 1.54 1.1541 4 8 4 8 83.90 2.31 1.1533 10 4 0 4 84.02 1.09 1.1519 6 2 5 8 84.25 1.24 1.1494 7 7 3 8 84.27 2.48 1.1491 8 8 0 4 84.42 1.94 1.1475 0 12 1 4 85.07 1.12 1.1404 10 2 2 8 87.31 1.37 1.1168 9 4 3 8 87.46 1.94 1.1152 3 7 5 8 87.78 2.17 1.1120 5 11 1 8 88.13 1.16 1.1085 9 7 1 8 88.23 2.44 1.1075 6 4 5 8 88.75 3.30 1.1023 7 9 2 8 88.94 3.90 1.1005 8 4 4 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.