Spodumene Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040050 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 = 300 C pyroxene CELL PARAMETERS: 9.4638 8.3909 5.2178 90.000 110.168 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Si 0.29430 0.09320 0.25470 1.000 0.523 Al 0.00000 0.90590 0.25000 1.000 0.565 Li 0.00000 0.27580 0.25000 1.000 2.190 O 0.11010 0.08190 0.13970 1.000 0.666 O 0.36490 0.26620 0.30120 1.000 1.049 O 0.35650 0.98860 0.05460 1.000 1.051 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 7 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 10.34699808 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.52 14.12 6.1000 1 1 0 19.99 11.32 4.4418 2 0 0 20.39 26.57 4.3556 -1 1 1 21.18 38.75 4.1954 0 2 0 25.89 23.76 3.4420 1 1 1 28.00 28.53 3.1863 0 2 1 29.28 2.78 3.0500 2 2 0 30.64 100.00 2.9174 -2 2 1 31.29 10.68 2.8584 -3 1 1 32.05 56.60 2.7924 3 1 0 33.59 6.88 2.6679 1 3 0 35.22 9.28 2.5479 -2 0 2 36.65 3.08 2.4519 -1 3 1 36.70 35.39 2.4489 0 0 2 38.28 14.16 2.3513 2 2 1 40.62 2.70 2.2209 4 0 0 41.46 1.48 2.1778 -2 2 2 42.14 5.71 2.1443 3 1 1 42.75 1.34 2.1150 0 2 2 42.93 17.15 2.1067 1 1 2 43.99 9.59 2.0584 -3 3 1 44.17 1.58 2.0504 -4 2 1 44.56 2.20 2.0333 3 3 0 44.64 2.92 2.0298 -4 0 2 47.13 10.17 1.9283 0 4 1 48.87 18.44 1.8636 -2 4 1 49.37 6.81 1.8460 -5 1 1 49.91 4.26 1.8272 -4 2 2 51.15 2.43 1.7859 -3 3 2 52.66 4.92 1.7382 5 1 0 53.22 1.25 1.7210 2 2 2 54.38 1.04 1.6871 2 4 1 54.65 1.37 1.6795 -1 1 3 55.17 1.89 1.6649 -3 1 3 55.74 3.28 1.6490 1 5 0 56.85 2.32 1.6195 -2 4 2 57.36 15.37 1.6063 -2 2 3 57.56 7.96 1.6011 3 1 2 57.88 6.24 1.5931 0 4 2 58.93 20.64 1.5674 -5 3 1 60.73 6.96 1.5250 4 4 0 60.95 1.95 1.5201 -6 0 2 62.25 2.93 1.4914 1 1 3 62.43 1.75 1.4875 5 1 1 62.76 1.67 1.4806 6 0 0 63.67 7.74 1.4616 -1 3 3 63.69 2.45 1.4611 -5 1 3 63.74 3.32 1.4600 3 5 0 63.81 1.52 1.4587 -4 4 2 65.79 2.15 1.4195 4 0 2 66.91 6.17 1.3985 0 6 0 69.07 6.94 1.3599 -3 5 2 69.97 3.71 1.3446 4 2 2 70.32 6.25 1.3387 -2 4 3 70.87 13.76 1.3297 5 3 1 71.74 3.12 1.3156 2 2 3 71.90 10.59 1.3131 -7 1 2 72.05 2.54 1.3107 -5 3 3 72.68 2.76 1.3009 -2 0 4 73.69 3.86 1.2856 -3 1 4 74.48 2.95 1.2740 -4 0 4 75.81 1.86 1.2548 7 1 0 76.84 1.28 1.2406 6 2 1 77.29 2.19 1.2345 5 1 2 77.93 3.51 1.2260 -2 6 2 78.04 2.08 1.2245 0 0 4 78.38 1.37 1.2200 5 5 0 78.81 8.97 1.2144 0 6 2 78.91 2.72 1.2131 -7 3 1 82.46 6.01 1.1697 3 5 2 82.70 1.30 1.1669 -1 7 1 83.28 2.21 1.1603 -6 0 4 84.43 1.03 1.1473 3 3 3 86.58 1.62 1.1243 -7 3 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.