Ferritaramite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070145 Hawthorne F C, Grundy H D The Canadian Mineralogist 16 (1978) 53-62 The crystal chemistry of the amphiboles. VII. Crystal structure and site chemistry of potassian ferri-taramite CELL PARAMETERS: 9.9250 18.0990 5.3296 90.000 105.156 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Si 0.27973 0.08621 0.30050 0.570 0.560 Al 0.27973 0.08621 0.30050 0.430 0.560 Si 0.29085 0.17241 0.81050 0.980 0.530 Al 0.29085 0.17241 0.81050 0.020 0.530 Fe 0.00000 0.08945 0.50000 0.730 0.840 Mg 0.00000 0.08945 0.50000 0.270 0.840 Fe 0.00000 0.17993 0.00000 0.785 0.660 Mg 0.00000 0.17993 0.00000 0.102 0.660 Ti 0.00000 0.17993 0.00000 0.093 0.660 Al 0.00000 0.17993 0.00000 0.020 0.660 Fe 0.00000 0.00000 0.00000 0.706 0.740 Mn 0.00000 0.00000 0.00000 0.153 0.740 Mg 0.00000 0.00000 0.00000 0.141 0.740 Ca 0.00000 0.28033 0.50000 0.589 0.890 Na 0.00000 0.28033 0.50000 0.395 0.890 Mn 0.00000 0.28033 0.50000 0.016 0.890 Na 0.04370 0.50000 0.09060 0.223 1.800 K 0.04370 0.50000 0.09060 0.139 1.800 Na 0.00000 0.48890 0.00000 0.173 1.800 K 0.00000 0.48890 0.00000 0.108 1.800 O 0.10630 0.09120 0.21360 1.000 0.850 O 0.12100 0.17450 0.73560 1.000 0.820 OH 0.11040 0.00000 0.70990 1.000 0.940 O 0.36620 0.24990 0.79390 1.000 0.930 O 0.34940 0.13640 0.10040 1.000 1.060 O 0.34250 0.11890 0.60150 1.000 1.040 O 0.33530 0.00000 0.28860 1.000 1.270 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 16 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 12.02186341 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.77 3.51 9.0495 0 2 0 10.45 100.00 8.4669 1 1 0 17.24 2.33 5.1442 0 0 1 17.99 6.72 4.9310 -1 1 1 18.52 10.30 4.7899 2 0 0 19.62 10.46 4.5248 0 4 0 19.85 2.13 4.4722 0 2 1 21.80 1.35 4.0773 -2 0 1 22.20 3.50 4.0049 1 1 1 22.77 2.41 3.9059 -1 3 1 26.23 4.58 3.3975 0 4 1 26.25 39.69 3.3948 1 3 1 27.11 20.45 3.2892 2 4 0 28.38 52.39 3.1447 3 1 0 29.22 2.23 3.0560 -3 1 1 29.49 1.73 3.0289 -2 4 1 29.61 1.44 3.0165 0 6 0 30.28 16.45 2.9513 2 2 1 31.70 12.70 2.8223 3 3 0 32.47 20.78 2.7576 -3 3 1 32.99 74.95 2.7155 1 5 1 34.01 2.17 2.6363 -1 1 2 34.47 46.54 2.6021 0 6 1 34.92 1.81 2.5697 2 4 1 35.02 51.77 2.5624 -2 0 2 37.56 3.91 2.3949 4 0 0 37.56 3.15 2.3947 3 5 0 38.22 29.09 2.3548 -3 5 1 38.39 7.27 2.3447 -4 2 1 38.87 2.47 2.3167 1 1 2 39.02 4.90 2.3084 -1 7 1 39.12 14.99 2.3026 -3 1 2 39.82 1.42 2.2636 3 3 1 40.45 4.12 2.2297 -2 4 2 41.26 2.54 2.1880 1 7 1 41.63 29.35 2.1693 2 6 1 41.69 5.30 2.1666 -3 3 2 42.11 1.48 2.1460 -1 5 2 42.25 1.04 2.1391 -4 4 1 44.10 15.58 2.0533 2 0 2 44.44 12.54 2.0386 -4 0 2 44.77 15.22 2.0244 3 5 1 45.12 1.53 2.0095 3 7 0 45.69 1.27 1.9857 -3 7 1 46.12 1.87 1.9681 1 9 0 46.47 1.45 1.9541 -3 5 2 46.93 1.33 1.9361 4 2 1 47.73 1.33 1.9053 5 1 0 48.11 6.00 1.8912 -4 6 1 48.64 3.27 1.8720 -1 9 1 48.70 1.62 1.8698 2 4 2 49.01 1.94 1.8587 -4 4 2 49.10 1.04 1.8556 -1 7 2 50.42 4.92 1.8099 0 10 0 50.54 1.81 1.8061 1 9 1 51.75 4.38 1.7663 -5 1 2 52.87 2.13 1.7317 -5 5 1 53.99 3.83 1.6985 -1 3 3 54.07 3.33 1.6960 -2 8 2 54.17 2.54 1.6931 2 10 0 54.38 1.88 1.6872 -3 9 1 54.46 2.65 1.6848 0 2 3 55.47 19.62 1.6564 4 6 1 55.91 4.12 1.6446 4 8 0 56.77 9.81 1.6216 1 11 0 57.74 4.50 1.5966 6 0 0 58.00 16.63 1.5901 -1 5 3 59.19 5.33 1.5610 4 0 2 59.64 9.48 1.5502 -6 0 2 59.87 1.40 1.5449 -3 5 3 60.73 17.23 1.5251 -2 6 3 60.77 2.09 1.5240 1 9 2 61.20 1.21 1.5145 -4 8 2 61.48 5.29 1.5083 5 5 1 61.48 7.16 1.5083 0 12 0 62.28 1.84 1.4907 0 6 3 62.86 4.06 1.4783 -2 10 2 62.98 1.99 1.4758 1 5 3 62.99 1.31 1.4757 4 4 2 63.02 1.27 1.4751 2 2 3 63.43 1.55 1.4666 -6 4 2 63.62 4.48 1.4626 3 11 0 63.72 1.65 1.4606 -1 7 3 64.29 20.67 1.4490 -6 6 1 64.54 2.54 1.4439 4 10 0 64.63 1.48 1.4421 -5 3 3 65.84 1.50 1.4185 -4 6 3 68.26 4.33 1.3740 -5 5 3 68.48 8.02 1.3701 5 1 2 68.79 2.32 1.3646 7 1 0 69.19 1.31 1.3577 2 10 2 69.44 1.20 1.3535 -4 10 2 69.93 6.41 1.3452 1 11 2 70.10 3.65 1.3424 -3 11 2 70.26 1.80 1.3397 5 3 2 70.27 4.85 1.3396 2 6 3 70.93 1.15 1.3287 -1 9 3 71.46 6.56 1.3202 -7 5 1 71.63 4.61 1.3175 -1 1 4 72.67 1.06 1.3011 0 12 2 72.76 8.73 1.2998 -2 12 2 73.37 1.58 1.2904 -1 3 4 73.66 2.38 1.2861 0 0 4 73.98 3.94 1.2812 -4 0 4 74.32 1.18 1.2763 4 12 0 79.42 6.12 1.2066 -5 11 2 80.15 1.80 1.1975 8 0 0 81.80 1.51 1.1774 -6 10 2 82.61 3.37 1.1679 2 0 4 86.58 1.14 1.1243 -6 4 4 88.50 1.48 1.1048 0 16 1 89.44 1.31 1.0956 3 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.