Riebeckite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120033 Hawthorne F C The Canadian Mineralogist 16 (1978) 187-194 The crystal chemistry of the amphiboles. VIII. The crystal structure and site chemistry of fluor-riebeckite _database_code_amcsd 0005155 CELL PARAMETERS: 9.8200 18.0570 5.3291 90.000 103.711 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Na 0.03870 0.50000 0.08330 0.019 1.670 K 0.03870 0.50000 0.08330 0.145 1.670 Na 0.00000 0.27820 0.50000 0.993 1.320 Ca 0.00000 0.27820 0.50000 0.007 1.320 Li 0.00000 0.00000 0.00000 0.336 0.700 Mn 0.00000 0.00000 0.00000 0.182 0.700 Fe 0.00000 0.00000 0.00000 0.482 0.700 Fe 0.00000 0.09069 0.50000 0.930 0.630 Fe 0.00000 0.09069 0.50000 0.066 0.630 Li 0.00000 0.09069 0.50000 0.004 0.630 Fe 0.00000 0.18262 0.00000 0.943 0.420 Al 0.00000 0.18262 0.00000 0.057 0.420 Al 0.27960 0.08585 0.29050 0.050 0.510 Si 0.27960 0.08585 0.29050 0.950 0.510 Al 0.29010 0.17057 0.80150 0.010 0.500 Si 0.29010 0.17057 0.80150 0.990 0.500 O 0.10980 0.09130 0.20470 1.000 0.700 O 0.11950 0.17230 0.73780 1.000 0.690 OH 0.11180 0.00000 0.70950 0.446 0.960 F 0.11180 0.00000 0.70950 0.627 0.960 O 0.36560 0.24910 0.80130 1.000 0.840 O 0.34910 0.12820 0.08140 1.000 0.790 O 0.33990 0.12060 0.57780 1.000 0.810 O 0.33250 0.00000 0.30040 1.000 0.890 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 16 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 18.74517828 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.80 3.11 9.0285 0 2 0 10.49 100.00 8.4352 1 1 0 17.42 1.26 5.0905 1 3 0 18.13 4.63 4.8932 -1 1 1 18.60 1.60 4.7701 2 0 0 19.67 16.35 4.5142 0 4 0 19.77 9.83 4.4912 0 2 1 21.95 2.61 4.0502 1 1 1 22.90 3.31 3.8837 -1 3 1 24.27 5.53 3.6679 -2 2 1 26.05 23.72 3.4200 1 3 1 26.19 1.97 3.4025 0 4 1 27.20 7.13 3.2788 2 4 0 28.50 38.66 3.1319 3 1 0 29.69 1.97 3.0087 -3 1 1 30.00 5.01 2.9785 2 2 1 31.83 9.70 2.8117 3 3 0 32.85 56.82 2.7260 1 5 1 32.91 10.03 2.7216 -3 3 1 34.03 2.10 2.6344 -1 1 2 34.47 19.58 2.6018 0 6 1 34.69 1.24 2.5861 2 4 1 35.31 31.14 2.5417 -2 0 2 37.69 1.51 2.3866 3 5 0 37.72 1.54 2.3850 4 0 0 38.46 1.51 2.3409 1 1 2 38.63 17.37 2.3308 -3 5 1 38.95 1.82 2.3126 -4 2 1 39.16 3.20 2.3003 -1 7 1 39.66 12.71 2.2727 -3 1 2 41.19 3.47 2.1917 1 7 1 41.46 17.45 2.1777 2 6 1 42.21 3.50 2.1411 -3 3 2 43.55 8.58 2.0781 2 0 2 44.54 9.78 2.0342 3 5 1 45.18 5.21 2.0071 -4 0 2 46.65 2.20 1.9471 4 2 1 48.21 2.09 1.8877 2 4 2 48.62 2.90 1.8728 -4 6 1 48.80 1.72 1.8662 -1 9 1 50.51 2.29 1.8068 1 9 1 50.55 3.05 1.8057 0 10 0 52.66 4.00 1.7381 -5 1 2 53.48 2.09 1.7133 -5 5 1 53.90 2.24 1.7011 -1 3 3 54.32 1.51 1.6888 2 10 0 54.36 2.92 1.6877 -2 8 2 54.76 1.20 1.6764 -3 9 1 55.26 13.15 1.6623 4 6 1 56.10 3.85 1.6394 4 8 0 56.92 6.87 1.6178 1 11 0 57.93 11.60 1.5918 -1 5 3 58.00 2.50 1.5900 6 0 0 58.51 2.63 1.5776 4 0 2 60.56 1.17 1.5288 1 9 2 60.70 4.94 1.5257 -6 0 2 60.93 8.98 1.5205 -2 6 3 61.25 3.46 1.5133 5 5 1 61.64 4.25 1.5047 0 12 0 61.99 1.70 1.4971 0 6 3 62.25 1.40 1.4914 2 2 3 62.45 1.07 1.4870 1 5 3 63.16 2.06 1.4720 -2 10 2 63.68 1.51 1.4614 -1 7 3 63.81 2.81 1.4587 3 11 0 64.47 1.73 1.4454 -6 4 2 64.75 1.29 1.4396 4 10 0 64.99 11.98 1.4349 -6 6 1 67.77 5.73 1.3828 5 1 2 69.12 1.83 1.3590 7 1 0 69.24 2.63 1.3569 -5 5 3 69.56 1.47 1.3515 5 3 2 69.58 2.76 1.3512 2 6 3 69.78 3.81 1.3478 1 11 2 70.58 2.15 1.3344 -3 11 2 71.37 3.07 1.3215 -1 1 4 72.28 4.32 1.3072 -7 5 1 72.68 1.32 1.3009 0 12 2 73.08 6.30 1.2948 -2 12 2 73.11 2.05 1.2943 0 0 4 73.13 1.21 1.2941 -1 3 4 74.69 2.61 1.2709 -4 0 4 80.26 4.17 1.1961 -5 11 2 80.55 1.08 1.1925 8 0 0 81.55 2.00 1.1804 2 0 4 88.14 1.22 1.1083 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.