Aegirine Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120144 Cameron M, Sueno S, Prewitt C T, Papike J J American Mineralogist 58 (1973) 594-618 High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite, spodumene, and ureyite T = 24 C pyroxene _database_code_amcsd 0000336 CELL PARAMETERS: 9.6470 8.7920 5.2890 90.000 107.340 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Si 0.29050 0.08940 0.23510 1.000 0.293 Fe 0.00000 0.89890 0.25000 1.000 0.369 Na 0.00000 0.29990 0.25000 1.000 0.973 O 0.11410 0.07840 0.13800 1.000 0.394 O 0.35820 0.25580 0.30010 1.000 0.525 O 0.35180 0.00790 0.01180 1.000 0.519 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: 18.45114011 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.93 39.26 6.3591 1 1 0 19.28 3.15 4.6043 2 0 0 20.08 21.94 4.4220 -1 1 1 20.20 17.05 4.3960 0 2 0 24.67 8.90 3.6088 1 1 1 28.06 4.46 3.1795 2 2 0 29.97 100.00 2.9813 -2 2 1 30.86 46.43 2.8980 3 1 0 30.96 4.88 2.8887 -3 1 1 32.05 1.79 2.7926 1 3 0 35.29 24.02 2.5430 -1 3 1 35.46 1.56 2.5317 -1 1 2 35.56 38.34 2.5243 0 0 2 36.36 37.81 2.4709 2 2 1 39.99 2.82 2.2543 3 1 1 40.24 1.25 2.2413 -3 1 2 41.10 17.47 2.1963 1 1 2 41.24 2.51 2.1891 0 2 2 42.65 1.54 2.1197 3 3 0 42.73 18.14 2.1160 -3 3 1 43.24 11.30 2.0925 -4 2 1 44.67 9.52 2.0284 -4 0 2 44.98 7.02 2.0153 0 4 1 45.74 1.31 1.9836 2 4 0 45.86 5.27 1.9788 2 0 2 47.02 6.02 1.9326 -2 4 1 48.41 3.67 1.8802 -5 1 1 49.49 1.97 1.8418 -4 2 2 49.98 3.36 1.8249 3 3 1 50.18 1.57 1.8180 -3 3 2 50.64 1.09 1.8026 5 1 0 51.63 1.76 1.7704 2 4 1 52.65 2.75 1.7383 4 2 1 53.02 11.11 1.7272 1 5 0 53.37 1.22 1.7166 -1 1 3 54.51 3.78 1.6833 3 1 2 54.84 1.12 1.6742 -3 1 3 55.43 6.92 1.6577 0 4 2 56.35 15.47 1.6328 -2 2 3 57.27 15.26 1.6088 -5 3 1 58.02 8.07 1.5898 4 4 0 59.25 1.35 1.5597 5 1 1 59.66 1.13 1.5499 1 1 3 60.31 4.03 1.5348 6 0 0 60.55 4.84 1.5292 -6 0 2 60.70 5.52 1.5258 3 5 0 61.40 2.76 1.5100 -6 2 1 61.48 1.49 1.5081 -4 2 3 61.73 11.11 1.5027 -1 3 3 62.14 4.95 1.4937 4 0 2 62.28 1.26 1.4907 -4 4 2 63.07 1.73 1.4740 -3 3 3 63.49 4.76 1.4653 0 6 0 63.70 1.71 1.4609 -5 1 3 66.06 2.48 1.4143 4 2 2 66.78 9.74 1.4009 -3 5 2 67.15 14.12 1.3940 5 3 1 67.38 2.46 1.3897 1 5 2 68.21 5.13 1.3750 2 2 3 68.31 2.75 1.3732 -2 4 3 71.06 7.61 1.3266 -7 1 2 71.33 3.69 1.3222 -5 3 3 72.68 2.14 1.3010 7 1 0 72.79 3.41 1.2992 6 2 1 72.83 5.33 1.2987 -3 1 4 74.13 1.76 1.2790 -4 0 4 74.65 1.22 1.2715 -2 6 2 74.94 7.42 1.2673 0 6 2 75.29 3.58 1.2622 0 0 4 77.22 1.59 1.2354 4 4 2 77.79 6.85 1.2277 3 5 2 78.40 2.13 1.2198 -1 7 1 80.18 2.50 1.1972 1 7 1 83.30 1.45 1.1600 -8 2 1 83.40 3.24 1.1589 -6 0 4 84.09 1.15 1.1511 8 0 0 88.43 1.03 1.1055 -4 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.