Hedenbergite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050030 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 CELL PARAMETERS: 9.8416 9.0253 5.2520 90.000 104.860 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Si 0.28780 0.09240 0.23260 1.000 0.383 Fe 0.00000 0.90750 0.25000 1.000 0.437 Ca 0.00000 0.30030 0.25000 1.000 0.657 O 0.11970 0.09040 0.15250 1.000 0.583 O 0.36270 0.24610 0.32280 1.000 0.778 O 0.35020 0.01980 0.99320 1.000 0.658 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: 19.13409650 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.52 23.37 6.5473 1 1 0 18.66 11.09 4.7562 2 0 0 19.67 5.99 4.5127 0 2 0 20.15 1.98 4.4060 -1 1 1 27.24 9.05 3.2736 2 2 0 29.75 100.00 3.0032 -2 2 1 29.87 38.47 2.9916 3 1 0 30.80 10.66 2.9028 -3 1 1 34.71 34.33 2.5844 -1 3 1 35.14 48.19 2.5535 2 2 1 35.36 42.15 2.5382 0 0 2 35.61 2.30 2.5213 -1 1 2 37.83 2.88 2.3781 4 0 0 38.45 4.76 2.3414 3 1 1 40.31 13.36 2.2372 1 1 2 40.67 1.05 2.2182 -3 1 2 40.79 2.49 2.2123 0 2 2 41.37 4.57 2.1824 3 3 0 42.08 23.37 2.1472 -3 3 1 42.62 13.92 2.1212 -4 2 1 43.91 5.26 2.0618 0 4 1 44.57 10.02 2.0331 2 0 2 45.06 12.95 2.0118 -4 0 2 45.87 3.52 1.9783 -1 3 2 46.12 1.93 1.9680 -2 4 1 47.62 1.04 1.9095 -5 1 1 48.21 5.65 1.8877 3 3 1 49.15 1.04 1.8537 2 2 2 49.78 1.57 1.8318 1 3 2 50.01 2.23 1.8237 2 4 1 50.59 4.06 1.8042 4 2 1 51.53 15.88 1.7734 1 5 0 52.63 1.99 1.7390 3 1 2 53.95 1.26 1.6997 -1 5 1 54.41 5.88 1.6863 0 4 2 55.55 1.71 1.6543 -3 1 3 56.13 14.57 1.6385 -5 3 1 56.20 5.08 1.6368 4 4 0 56.65 17.14 1.6247 -2 2 3 58.19 5.07 1.5854 6 0 0 58.87 6.04 1.5687 3 5 0 59.71 5.98 1.5485 4 0 2 60.11 3.37 1.5393 -6 2 1 60.39 5.49 1.5328 -6 0 2 61.43 12.33 1.5094 -1 3 3 61.66 4.99 1.5042 0 6 0 62.11 1.74 1.4945 -4 2 3 62.43 1.21 1.4875 -1 5 2 63.32 1.89 1.4687 -3 3 3 63.52 1.18 1.4647 4 2 2 64.47 17.68 1.4454 5 3 1 65.65 5.69 1.4222 1 5 2 65.91 8.58 1.4172 -3 5 2 66.26 1.11 1.4105 1 3 3 66.53 4.67 1.4054 2 2 3 68.00 1.73 1.3786 -2 4 3 69.70 4.16 1.3490 6 2 1 70.02 2.04 1.3438 7 1 0 70.49 6.19 1.3359 -7 1 2 71.67 4.16 1.3168 -5 3 3 73.13 6.32 1.2940 0 6 2 73.70 3.48 1.2855 -3 1 4 74.29 1.08 1.2768 4 4 2 74.81 3.47 1.2691 0 0 4 75.12 7.19 1.2646 3 5 2 75.30 2.00 1.2621 -4 0 4 76.21 1.56 1.2492 -1 7 1 77.70 2.42 1.2290 1 7 1 80.83 1.92 1.1891 8 0 0 81.04 1.28 1.1866 -8 2 1 84.72 2.88 1.1442 -6 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.