Aegirine Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R070125 McCarthy A C, Downs R T, Thompson R M, Redhammer G J American Mineralogist 93 (2008) 1829-1837 In situ high-pressure single-crystal X-ray study of aegirine, NaFe3+Si2O6, and the role of M1 size in clinopyroxene compressibility Locality: synthetic Note: Pressure = 9.76 GPa _database_code_amcsd 0004765 CELL PARAMETERS: 9.3690 8.7800 5.2940 90.000 107.420 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Na 0.00000 0.30500 0.25000 1.000 1.170 Fe 0.00000 0.90180 0.25000 1.000 0.820 Si 0.29110 0.09180 0.23680 1.000 0.770 O 0.11490 0.08240 0.14120 1.000 0.780 O 0.35620 0.26150 0.31860 1.000 0.940 O 0.35570 0.01880 0.00320 1.000 0.980 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: 17.18858719 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.14 41.93 6.2640 1 1 0 19.86 3.66 4.4696 2 0 0 20.14 19.75 4.4100 -1 1 1 20.23 18.45 4.3900 0 2 0 24.86 9.06 3.5820 1 1 1 28.50 2.50 3.1320 2 2 0 30.26 100.00 2.9538 -2 2 1 31.63 5.01 2.8283 -3 1 1 31.71 44.82 2.8217 3 1 0 32.18 1.64 2.7814 1 3 0 35.36 31.57 2.5384 -1 3 1 35.42 2.69 2.5340 -1 1 2 35.55 39.99 2.5256 0 0 2 36.80 44.80 2.4422 2 2 1 40.63 1.34 2.2205 -3 1 2 40.81 2.95 2.2109 3 1 1 41.12 1.89 2.1950 0 4 0 41.24 1.62 2.1892 0 2 2 41.25 17.99 2.1885 1 1 2 43.28 19.87 2.0907 -3 3 1 43.33 2.20 2.0880 3 3 0 44.21 11.98 2.0487 -4 2 1 45.03 7.14 2.0131 0 4 1 45.43 12.20 1.9963 -4 0 2 46.07 1.07 1.9702 2 4 0 46.25 1.27 1.9630 -1 3 2 46.28 6.74 1.9617 2 0 2 47.26 5.34 1.9235 -2 4 1 49.84 4.05 1.8297 -5 1 1 50.20 1.74 1.8173 -4 2 2 50.69 2.75 1.8009 3 3 1 52.00 2.60 1.7587 2 4 1 53.16 10.77 1.7231 1 5 0 53.79 2.58 1.7041 4 2 1 55.26 3.72 1.6622 3 1 2 55.46 8.41 1.6567 0 4 2 56.35 17.52 1.6327 -2 2 3 58.56 12.35 1.5762 -5 3 1 58.98 7.30 1.5660 4 4 0 59.79 1.08 1.5467 1 1 3 60.83 1.36 1.5227 5 1 1 61.27 6.67 1.5128 3 5 0 61.68 11.87 1.5038 -1 3 3 61.95 1.52 1.4978 -4 2 3 62.14 5.04 1.4938 -6 0 2 62.32 3.77 1.4899 6 0 0 63.20 2.95 1.4712 -6 2 1 63.26 1.29 1.4700 -3 3 3 63.28 4.65 1.4695 4 0 2 63.58 5.02 1.4633 0 6 0 64.54 2.20 1.4439 -5 1 3 67.12 9.42 1.3946 -3 5 2 67.18 2.19 1.3935 4 2 2 67.56 2.49 1.3866 1 5 2 67.68 1.02 1.3844 1 3 3 68.26 1.19 1.3740 -2 6 1 68.34 3.66 1.3726 -2 4 3 68.59 4.88 1.3681 2 2 3 68.66 14.18 1.3671 5 3 1 72.15 3.43 1.3092 -5 3 3 72.87 4.90 1.2980 -3 1 4 73.14 6.94 1.2939 -7 1 2 74.41 2.04 1.2750 -4 0 4 74.80 1.09 1.2692 -2 6 2 74.83 2.88 1.2688 6 2 1 75.01 6.32 1.2662 0 6 2 75.18 1.92 1.2637 7 1 0 75.25 3.15 1.2628 0 0 4 78.30 1.51 1.2211 4 4 2 78.48 6.62 1.2187 3 5 2 78.54 1.66 1.2180 -1 7 1 80.37 2.72 1.1947 1 7 1 84.41 2.60 1.1476 -6 0 4 87.25 1.03 1.1174 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.