Titantaramellite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080041 Mazzi F, Rossi G American Mineralogist 65 (1980) 123-128 The crystal structure of taramellite Locality: Rush Creek, Fresno County, California, USA CELL PARAMETERS: 12.2130 13.9860 7.1350 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: Pmmn ATOM X Y Z OCCUPANCY ISO(B) Ba 0.75000 0.25000 0.23620 1.000 1.483 Ba 0.25000 0.75000 0.46710 1.000 1.353 Ba 0.25000 0.47160 0.00780 1.000 0.810 Ti 0.62850 0.50260 0.47580 0.750 0.777 Fe 0.62850 0.50260 0.47580 0.250 0.777 Si 0.48960 0.36590 0.20620 1.000 0.452 Si 0.47360 0.64410 0.20510 1.000 0.499 B 0.25000 0.65850 0.27870 1.000 0.168 O 0.50870 0.25000 0.22170 1.000 1.142 O 0.51910 0.75000 0.26560 1.000 0.821 O 0.25000 0.57540 0.40940 1.000 1.098 O 0.75000 0.57110 0.36090 1.000 2.117 O 0.53830 0.60900 0.01620 1.000 0.762 O 0.38100 0.39940 0.31490 1.000 0.776 O 0.60660 0.41180 0.26280 1.000 0.858 O 0.34530 0.64770 0.14580 1.000 0.812 O 0.49380 0.57180 0.37410 1.000 0.915 O 0.25000 0.75000 0.37800 1.000 0.912 Cl 0.25000 0.25000 -0.00490 0.950 0.968 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 12 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 33.65831478 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.61 100.00 9.1993 1 1 0 12.66 9.86 6.9930 0 2 0 13.93 1.72 6.3557 0 1 1 14.51 16.20 6.1065 2 0 0 15.72 35.96 5.6380 1 1 1 19.20 1.47 4.6227 1 2 1 20.17 1.51 4.4034 2 1 1 20.39 37.42 4.3555 1 3 0 22.75 9.12 3.9088 3 1 0 23.01 44.80 3.8659 2 2 1 24.96 1.54 3.5675 0 0 2 25.19 1.87 3.5359 3 0 1 25.47 6.71 3.4965 0 4 0 25.99 14.16 3.4281 3 1 1 26.80 4.66 3.3261 1 1 2 27.12 4.17 3.2885 2 3 1 28.08 31.15 3.1779 0 2 2 28.28 3.65 3.1555 3 2 1 28.43 4.87 3.1398 0 4 1 28.99 28.75 3.0804 2 0 2 29.03 4.38 3.0755 1 2 2 29.12 15.03 3.0664 3 3 0 29.25 23.88 3.0533 4 0 0 29.37 8.18 3.0409 1 4 1 29.44 53.50 3.0343 2 4 0 29.70 1.12 3.0083 2 1 2 31.74 3.46 2.8190 2 2 2 31.88 11.99 2.8070 4 0 1 31.98 8.62 2.7982 4 2 0 32.05 6.72 2.7923 2 4 1 32.44 2.32 2.7599 1 3 2 33.40 1.17 2.6831 3 0 2 34.43 34.99 2.6050 4 2 1 34.44 1.24 2.6042 0 5 1 35.24 20.13 2.5470 1 5 1 35.85 1.47 2.5050 3 2 2 35.96 20.66 2.4971 0 4 2 37.37 1.61 2.4062 5 1 0 37.40 6.95 2.4048 4 3 1 37.55 1.72 2.3955 2 5 1 38.39 5.00 2.3447 0 1 3 38.57 2.34 2.3345 1 0 3 38.97 2.79 2.3113 2 4 2 39.12 7.82 2.3026 1 1 3 39.17 2.51 2.2998 4 4 0 39.37 5.33 2.2884 4 1 2 39.52 7.49 2.2800 5 1 1 40.04 3.94 2.2517 0 2 3 40.71 2.51 2.2162 2 0 3 40.75 3.96 2.2144 1 2 3 40.99 2.40 2.2017 4 2 2 41.00 3.47 2.2012 0 5 2 41.14 1.48 2.1942 5 2 1 41.15 11.14 2.1938 3 5 1 41.24 5.00 2.1889 4 4 1 41.24 2.87 2.1889 2 1 3 41.42 1.89 2.1802 1 6 1 41.69 3.66 2.1663 1 5 2 41.75 5.79 2.1636 5 3 0 42.80 5.64 2.1126 2 2 3 43.45 3.48 2.0829 2 6 1 44.10 3.17 2.0536 3 0 3 44.51 1.72 2.0355 6 0 0 44.60 1.12 2.0318 3 1 3 45.31 4.70 2.0015 2 3 3 45.47 1.23 1.9948 5 1 2 46.03 6.13 1.9718 1 7 0 46.54 2.17 1.9514 0 6 2 46.79 1.65 1.9415 1 4 3 46.92 3.11 1.9363 3 5 2 47.14 1.05 1.9279 5 4 1 47.17 2.35 1.9269 1 6 2 47.24 1.44 1.9240 0 7 1 48.28 7.39 1.8850 6 2 1 48.52 1.79 1.8763 4 0 3 48.98 1.75 1.8596 4 1 3 49.18 3.24 1.8528 4 6 0 49.26 1.03 1.8500 5 3 2 50.35 13.89 1.8122 4 2 3 50.36 1.44 1.8119 0 5 3 50.91 6.11 1.7936 3 7 0 50.92 8.53 1.7933 4 6 1 50.95 4.16 1.7923 1 5 3 51.21 5.98 1.7838 0 0 4 51.28 4.84 1.7816 5 5 1 51.62 2.39 1.7707 3 4 3 51.70 3.40 1.7680 6 0 2 51.98 6.95 1.7591 6 4 0 52.33 5.13 1.7483 0 8 0 52.58 1.55 1.7406 4 3 3 52.69 1.25 1.7371 2 5 3 53.07 2.05 1.7257 1 7 2 53.52 1.52 1.7122 2 0 4 53.55 1.17 1.7114 1 2 4 53.66 1.69 1.7080 6 4 1 54.11 1.03 1.6948 7 0 1 54.23 1.61 1.6915 5 1 3 54.54 1.17 1.6825 7 1 1 55.51 6.27 1.6554 3 5 3 55.59 4.64 1.6533 4 4 3 55.68 2.46 1.6507 1 3 4 55.73 2.72 1.6495 1 6 3 55.92 1.55 1.6442 4 6 2 56.04 1.23 1.6411 5 6 1 56.30 1.98 1.6340 7 3 0 57.37 3.11 1.6061 2 6 3 57.51 1.56 1.6025 3 7 2 58.05 3.49 1.5889 0 4 4 59.31 1.28 1.5582 4 5 3 59.80 2.18 1.5465 5 7 0 59.80 1.77 1.5465 6 0 3 60.00 2.19 1.5419 3 3 4 60.07 1.90 1.5402 4 0 4 60.18 6.69 1.5377 2 4 4 60.43 4.25 1.5318 5 4 3 60.52 1.38 1.5298 0 7 3 60.66 7.16 1.5266 8 0 0 60.93 1.14 1.5204 2 8 2 61.40 2.31 1.5100 6 2 3 61.54 3.02 1.5068 1 9 1 61.67 1.61 1.5041 4 2 4 62.60 1.42 1.4840 4 8 1 63.67 2.26 1.4616 4 6 3 63.98 3.00 1.4552 5 5 3 64.26 2.11 1.4495 7 5 1 65.62 3.62 1.4227 3 9 1 66.02 2.03 1.4151 1 9 2 66.36 1.29 1.4086 0 8 3 66.87 2.20 1.3991 8 4 0 67.03 1.26 1.3961 4 8 2 68.13 1.53 1.3763 5 3 4 68.14 3.01 1.3761 8 2 2 68.62 1.05 1.3677 4 7 3 68.64 1.67 1.3673 7 5 2 69.09 1.07 1.3596 4 9 1 69.96 1.40 1.3447 3 9 2 70.15 1.35 1.3415 6 0 4 70.78 1.23 1.3312 3 8 3 71.29 2.44 1.3228 1 7 4 71.83 2.17 1.3142 7 7 0 72.58 3.80 1.3025 8 4 2 73.16 2.21 1.2936 1 9 3 73.21 3.77 1.2928 4 0 5 73.31 2.67 1.2913 2 4 5 73.43 2.25 1.2896 5 9 1 73.49 1.38 1.2886 6 6 3 74.64 3.48 1.2715 4 10 0 74.66 1.65 1.2712 4 2 5 75.11 1.78 1.2648 3 7 4 75.12 2.01 1.2646 1 11 0 75.67 2.23 1.2568 7 5 3 75.98 1.64 1.2525 6 4 4 76.26 1.92 1.2486 0 8 4 76.47 1.33 1.2456 9 4 1 76.94 1.67 1.2392 3 9 3 77.57 1.04 1.2307 5 9 2 79.67 1.35 1.2034 9 5 1 82.69 1.04 1.1670 1 2 6 83.32 1.82 1.1598 8 0 4 83.70 1.03 1.1555 10 0 2 83.92 1.23 1.1530 10 4 0 84.17 1.04 1.1503 0 12 1 84.20 1.33 1.1499 8 8 0 84.35 1.61 1.1482 5 9 3 84.61 1.59 1.1454 7 9 1 88.16 1.30 1.1082 6 4 5 88.90 2.08 1.1009 8 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.