Astrophyllite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060103 Piilonen P C, McDonald A M, Lalonde A E The Canadian Mineralogist 41 (2003) 27-54 Insights into astrophyllite-group minerals II: Crystal chemistry Note: sample LAB3, peralkaline nepheline gneiss Locality: Seal Lake, Labrador, Canada CELL PARAMETERS: 5.3860 11.9070 11.7030 113.110 94.549 103.110 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Fe 0.85010 0.20583 0.47990 0.876 1.105 Na 0.85010 0.20583 0.47990 0.124 1.105 Fe 0.28060 0.06789 0.48911 0.956 1.184 Fe 0.42270 0.35217 0.48551 0.944 1.176 Fe 0.00000 0.50000 0.50000 0.436 1.082 Mg 0.00000 0.50000 0.50000 0.064 1.082 Ti 0.07953 0.08683 0.19795 0.575 1.074 Zr 0.07953 0.08683 0.19795 0.425 1.074 Si 0.67850 0.27350 0.23230 1.000 1.184 Si 0.81430 0.54736 0.25490 1.000 1.216 Si 0.37850 0.67503 0.25728 1.000 1.184 Si 0.50650 0.93127 0.23660 1.000 1.145 K 0.13380 0.26660 0.99580 0.949 4.864 Na 0.50000 0.00000 0.00000 0.379 1.840 Ca 0.50000 0.00000 0.00000 0.121 1.840 O 0.72720 0.31880 0.38420 1.000 1.232 O 0.14860 0.16230 0.37460 1.000 1.508 O 0.12720 0.39170 0.59300 1.000 1.271 OH 0.29860 0.46310 0.40160 1.000 1.421 OH 0.98920 0.11640 0.59220 1.000 1.445 O 0.56020 0.25740 0.58960 1.000 1.342 O 0.57280 0.01450 0.38900 1.000 1.224 O 0.07400 0.59120 0.20300 1.000 2.084 O 0.24930 0.04160 0.82620 1.000 3.924 O 0.42760 0.41320 0.79680 1.000 2.140 O 0.12870 0.80570 0.83020 1.000 3.908 O 0.26640 0.95660 0.17230 1.000 3.790 O 0.26754 0.60500 0.80460 1.000 2.653 O 0.57270 0.22080 0.80030 1.000 2.787 O 0.38730 0.19270 0.16860 1.000 3.727 F 0.00000 0.00000 0.00000 0.500 1.690 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 9 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 26.96733608 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.36 100.00 10.5721 0 0 1 8.41 23.26 10.5091 0 1 0 9.01 8.11 9.8103 0 -1 1 15.33 6.91 5.7790 0 -2 1 20.16 4.98 4.4042 -1 -1 1 20.47 2.39 4.3394 -1 2 0 20.55 2.19 4.3226 1 0 1 20.59 4.35 4.3141 1 -2 1 21.84 3.72 4.0694 0 2 1 23.60 2.20 3.7696 -1 2 1 23.66 1.64 3.7609 1 -1 2 23.72 3.38 3.7509 0 -2 3 23.92 4.43 3.7203 1 -2 2 24.14 1.79 3.6874 -1 1 2 25.27 25.43 3.5240 0 0 3 25.28 7.63 3.5228 1 1 1 25.43 1.38 3.5030 0 3 0 25.43 1.37 3.5029 -1 -2 1 27.27 1.10 3.2701 0 -3 3 27.36 8.10 3.2598 -1 -1 3 28.57 2.16 3.1242 0 2 2 29.01 6.39 3.0782 -1 2 2 29.44 4.94 3.0336 1 -2 3 29.96 2.65 2.9826 0 1 3 30.02 1.10 2.9766 -1 3 1 31.07 3.10 2.8782 1 -3 3 31.21 1.36 2.8658 0 -1 4 31.23 2.33 2.8638 1 1 2 31.73 2.06 2.8200 1 2 1 32.22 13.48 2.7783 -1 -3 1 32.24 14.73 2.7770 1 -4 2 33.74 12.35 2.6564 -2 1 1 33.92 9.02 2.6430 0 0 4 34.66 2.37 2.5877 -1 -2 4 34.78 14.46 2.5791 1 3 0 34.85 13.75 2.5746 1 -4 3 35.41 1.41 2.5348 -1 3 2 36.20 11.87 2.4817 -2 1 2 37.46 3.79 2.4010 -1 4 1 37.58 3.74 2.3935 -1 -3 4 38.96 2.34 2.3117 2 -1 2 39.17 4.43 2.3001 1 3 1 39.27 4.07 2.2944 1 -4 4 40.43 5.36 2.2310 -2 1 3 40.83 1.07 2.2101 2 -4 1 42.77 1.82 2.1144 0 0 5 42.78 2.31 2.1136 -1 4 2 42.93 2.13 2.1066 -1 -3 5 44.19 3.44 2.0496 2 -1 3 44.92 1.80 2.0179 1 3 2 45.05 1.87 2.0124 1 -4 5 51.23 1.17 1.7832 1 -3 6 51.72 4.55 1.7676 1 3 3 51.87 4.47 1.7628 1 -4 6 52.72 4.86 1.7363 -2 1 5 55.47 6.20 1.6567 0 -7 3 56.17 1.29 1.6376 0 -7 2 56.61 1.76 1.6258 -1 4 4 56.80 1.85 1.6209 -1 -3 7 57.85 1.56 1.5940 2 -1 5 58.45 4.90 1.5789 3 -5 1 58.49 4.87 1.5781 -3 -2 2 59.12 1.17 1.5626 -3 5 0 59.19 1.03 1.5610 -3 -2 3 59.21 1.14 1.5606 3 -5 2 59.21 1.27 1.5605 -3 -2 1 64.75 1.60 1.4398 -1 4 5 64.95 1.41 1.4358 -1 -3 8 65.93 1.76 1.4168 2 -1 6 66.48 1.21 1.4065 2 -8 2 66.56 1.40 1.4049 -2 -6 4 67.97 1.44 1.3791 2 -8 1 68.11 1.23 1.3766 -2 -6 5 70.16 1.61 1.3413 -4 2 0 71.70 1.49 1.3163 4 -2 1 73.28 1.02 1.2918 -4 2 3 83.67 1.19 1.1559 4 -2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.