Aegirine Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R061093 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: ae100/F3d _database_code_amcsd 0006825 CELL PARAMETERS: 9.6400 8.7790 5.2873 90.000 107.330 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Na 0.00000 0.29830 0.25000 1.000 0.430 Fe 0.00000 0.89850 0.25000 1.000 0.478 Si 0.29050 0.08890 0.23240 1.000 0.140 O 0.11180 0.07720 0.13780 1.000 1.190 O 0.35990 0.25400 0.30260 1.000 0.590 O 0.34890 0.01170 0.00760 1.000 0.340 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: 17.60956507 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.94 42.94 6.3521 1 1 0 19.29 3.49 4.6012 2 0 0 20.09 23.99 4.4189 -1 1 1 20.23 17.68 4.3895 0 2 0 24.68 8.99 3.6069 1 1 1 28.10 5.74 3.1760 2 2 0 30.00 100.00 2.9783 -2 2 1 30.88 51.66 2.8958 3 1 0 30.98 5.58 2.8864 -3 1 1 32.10 1.61 2.7887 1 3 0 35.34 27.50 2.5399 -1 3 1 35.47 1.62 2.5307 -1 1 2 35.57 39.66 2.5236 0 0 2 36.39 41.36 2.4690 2 2 1 39.16 1.29 2.3006 4 0 0 40.02 2.95 2.2531 3 1 1 40.26 1.52 2.2399 -3 1 2 41.11 17.66 2.1955 1 1 2 41.26 2.75 2.1878 0 2 2 42.70 1.54 2.1174 3 3 0 42.78 18.20 2.1137 -3 3 1 43.28 12.29 2.0907 -4 2 1 44.70 9.50 2.0272 -4 0 2 45.04 7.30 2.0127 0 4 1 45.81 1.31 1.9809 2 4 0 45.87 5.83 1.9781 2 0 2 47.08 5.19 1.9301 -2 4 1 48.45 3.51 1.8787 -5 1 1 49.53 1.79 1.8404 -4 2 2 50.02 3.31 1.8234 3 3 1 50.23 1.76 1.8163 -3 3 2 50.68 1.42 1.8013 5 1 0 51.69 2.15 1.7685 2 4 1 52.69 2.46 1.7371 4 2 1 53.10 11.44 1.7247 1 5 0 53.39 1.10 1.7160 -1 1 3 54.54 3.51 1.6826 3 1 2 54.86 1.34 1.6734 -3 1 3 55.49 7.00 1.6561 0 4 2 56.38 15.90 1.6320 -2 2 3 57.33 16.37 1.6072 -5 3 1 58.08 8.34 1.5880 4 4 0 59.28 1.18 1.5587 5 1 1 59.68 1.04 1.5494 1 1 3 60.35 4.25 1.5337 6 0 0 60.59 4.91 1.5282 -6 0 2 60.78 6.00 1.5238 3 5 0 61.46 3.00 1.5087 -6 2 1 61.53 1.78 1.5072 -4 2 3 61.77 11.78 1.5018 -1 3 3 62.17 5.51 1.4931 4 0 2 62.35 1.22 1.4892 -4 4 2 63.12 1.63 1.4730 -3 3 3 63.59 4.95 1.4632 0 6 0 63.74 1.84 1.4601 -5 1 3 66.10 2.46 1.4136 4 2 2 66.86 10.62 1.3993 -3 5 2 67.21 15.12 1.3930 5 3 1 67.46 2.83 1.3883 1 5 2 68.24 5.61 1.3744 2 2 3 68.37 2.63 1.3721 -2 4 3 71.12 7.61 1.3256 -7 1 2 71.39 4.50 1.3212 -5 3 3 72.73 2.09 1.3001 7 1 0 72.85 3.47 1.2983 6 2 1 72.86 5.68 1.2982 -3 1 4 74.17 1.60 1.2785 -4 0 4 74.75 1.15 1.2700 -2 6 2 75.04 7.69 1.2658 0 6 2 75.32 3.94 1.2618 0 0 4 77.29 1.69 1.2345 4 4 2 77.88 7.01 1.2266 3 5 2 78.53 2.05 1.2181 -1 7 1 80.31 2.86 1.1955 1 7 1 83.38 1.64 1.1591 -8 2 1 83.45 3.63 1.1583 -6 0 4 84.16 1.06 1.1503 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.