Aegirine Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050074 Redhammer G J, Amthauer G, Lottermoser W, Treutmann W European Journal of Mineralogy 12 (2000) 105-120 Synthesis and structural properties of clinopyroxenes of the hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series Sample: ae90/13 CELL PARAMETERS: 9.6820 8.8145 5.3060 90.000 107.080 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Na 0.00000 0.29940 0.25000 0.900 0.660 Ca 0.00000 0.29940 0.25000 0.100 0.660 Fe 0.00000 0.89920 0.25000 1.000 0.440 Si 0.28980 0.08930 0.23380 1.000 0.390 O 0.11640 0.07880 0.13780 1.000 0.580 O 0.36030 0.25500 0.30780 1.000 0.770 O 0.34980 0.01220 0.01170 1.000 0.650 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 18.14355350 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.87 38.59 6.3828 1 1 0 19.18 3.45 4.6275 2 0 0 20.03 19.45 4.4322 -1 1 1 20.15 15.65 4.4072 0 2 0 24.53 7.67 3.6290 1 1 1 27.96 6.04 3.1914 2 2 0 29.91 100.00 2.9877 -2 2 1 30.70 45.11 2.9118 3 1 0 30.88 5.37 2.8955 -3 1 1 31.96 1.32 2.8004 1 3 0 35.20 27.62 2.5493 -1 3 1 35.34 1.28 2.5399 -1 1 2 35.39 38.30 2.5360 0 0 2 36.16 40.81 2.4839 2 2 1 38.93 1.25 2.3137 4 0 0 39.74 2.68 2.2683 3 1 1 40.16 1.28 2.2453 -3 1 2 40.86 17.59 2.2083 1 1 2 41.06 2.43 2.1981 0 2 2 42.49 1.72 2.1276 3 3 0 42.62 19.01 2.1212 -3 3 1 43.11 11.71 2.0984 -4 2 1 44.59 10.30 2.0320 -4 0 2 44.85 7.22 2.0211 0 4 1 45.56 6.15 1.9911 2 0 2 45.60 1.12 1.9896 2 4 0 46.90 5.16 1.9372 -2 4 1 48.25 2.97 1.8863 -5 1 1 49.39 1.63 1.8453 -4 2 2 49.71 3.54 1.8339 3 3 1 50.07 1.35 1.8217 -3 3 2 50.37 1.17 1.8115 5 1 0 51.41 1.94 1.7774 2 4 1 52.33 2.84 1.7482 4 2 1 52.87 11.47 1.7318 1 5 0 54.14 3.44 1.6939 3 1 2 54.70 1.20 1.6780 -3 1 3 55.22 6.79 1.6634 0 4 2 56.17 15.73 1.6375 -2 2 3 57.07 14.66 1.6137 -5 3 1 57.78 7.63 1.5957 4 4 0 58.86 1.08 1.5691 5 1 1 59.97 4.23 1.5425 6 0 0 60.39 4.94 1.5328 -6 0 2 60.49 5.64 1.5306 3 5 0 61.17 2.81 1.5152 -6 2 1 61.35 1.44 1.5111 -4 2 3 61.50 11.71 1.5079 -1 3 3 61.70 5.24 1.5035 4 0 2 62.14 1.22 1.4939 -4 4 2 62.91 1.62 1.4774 -3 3 3 63.30 4.79 1.4691 0 6 0 63.57 1.60 1.4635 -5 1 3 65.61 2.15 1.4229 4 2 2 66.61 9.79 1.4041 -3 5 2 66.75 14.99 1.4015 5 3 1 67.10 2.86 1.3949 1 5 2 67.78 5.12 1.3826 2 2 3 68.09 2.59 1.3770 -2 4 3 70.84 7.20 1.3301 -7 1 2 71.18 3.77 1.3247 -5 3 3 72.26 2.24 1.3075 7 1 0 72.32 3.49 1.3066 6 2 1 72.60 5.28 1.3022 -3 1 4 73.94 1.98 1.2819 -4 0 4 74.43 1.20 1.2747 -2 6 2 74.67 6.90 1.2712 0 6 2 74.89 3.42 1.2680 0 0 4 76.74 1.51 1.2419 4 4 2 77.37 6.72 1.2333 3 5 2 78.16 1.93 1.2229 -1 7 1 79.90 2.66 1.2006 1 7 1 82.91 1.42 1.1645 -8 2 1 83.22 3.17 1.1610 -6 0 4 83.58 1.26 1.1569 8 0 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.