Aegirine Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120167 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: 9.6410 8.7910 5.2960 90.000 107.360 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 0.395 O 0.35820 0.25580 0.30010 1.000 0.526 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: 18.44043419 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.93 39.21 6.3565 1 1 0 19.29 3.15 4.6009 2 0 0 20.06 21.97 4.4256 -1 1 1 20.20 17.04 4.3955 0 2 0 24.66 8.91 3.6104 1 1 1 28.08 4.45 3.1782 2 2 0 29.97 100.00 2.9817 -2 2 1 30.88 46.32 2.8961 3 1 0 30.96 4.87 2.8882 -3 1 1 32.06 1.78 2.7922 1 3 0 35.29 24.03 2.5435 -1 3 1 35.41 1.56 2.5348 -1 1 2 35.52 38.47 2.5274 0 0 2 36.36 37.79 2.4709 2 2 1 40.00 2.82 2.2538 3 1 1 40.21 1.25 2.2428 -3 1 2 41.06 17.52 2.1981 1 1 2 41.20 2.52 2.1910 0 2 2 42.67 1.53 2.1188 3 3 0 42.74 18.12 2.1157 -3 3 1 43.25 11.28 2.0918 -4 2 1 44.66 9.53 2.0291 -4 0 2 44.98 7.02 2.0155 0 4 1 45.75 1.31 1.9831 2 4 0 45.83 5.28 1.9799 2 0 2 47.02 6.02 1.9326 -2 4 1 48.44 3.67 1.8792 -5 1 1 49.47 1.97 1.8423 -4 2 2 49.99 3.36 1.8246 3 3 1 50.16 1.57 1.8187 -3 3 2 50.68 1.09 1.8013 5 1 0 51.63 1.76 1.7703 2 4 1 52.67 2.74 1.7377 4 2 1 53.03 11.10 1.7270 1 5 0 53.30 1.22 1.7188 -1 1 3 54.50 3.79 1.6837 3 1 2 54.77 1.13 1.6760 -3 1 3 55.40 6.93 1.6584 0 4 2 56.28 15.53 1.6346 -2 2 3 57.29 15.23 1.6081 -5 3 1 58.04 8.05 1.5891 4 4 0 59.28 1.35 1.5589 5 1 1 59.59 1.14 1.5514 1 1 3 60.35 4.02 1.5336 6 0 0 60.56 4.84 1.5290 -6 0 2 60.72 5.51 1.5254 3 5 0 61.43 1.49 1.5093 -4 2 3 61.44 2.75 1.5091 -6 2 1 61.67 11.15 1.5041 -1 3 3 62.14 4.95 1.4938 4 0 2 62.28 1.26 1.4909 -4 4 2 63.01 1.74 1.4752 -3 3 3 63.49 4.76 1.4652 0 6 0 63.66 1.71 1.4618 -5 1 3 66.06 2.48 1.4143 4 2 2 66.76 9.75 1.4012 -3 5 2 67.18 14.09 1.3935 5 3 1 67.36 2.46 1.3901 1 5 2 68.15 5.14 1.3759 2 2 3 68.25 2.75 1.3742 -2 4 3 71.08 7.60 1.3262 -7 1 2 71.30 3.70 1.3228 -5 3 3 72.73 5.35 1.3003 -3 1 4 72.74 2.13 1.3001 7 1 0 72.84 3.40 1.2986 6 2 1 74.03 1.76 1.2805 -4 0 4 74.63 1.22 1.2717 -2 6 2 74.92 7.42 1.2676 0 6 2 75.19 3.60 1.2637 0 0 4 77.22 1.59 1.2354 4 4 2 77.79 6.85 1.2278 3 5 2 78.40 2.13 1.2197 -1 7 1 80.18 2.50 1.1971 1 7 1 83.32 3.25 1.1598 -6 0 4 83.37 1.45 1.1593 -8 2 1 84.17 1.15 1.1502 8 0 0 88.34 1.03 1.1064 -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.