Hedenbergite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070236 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 0000345 CELL PARAMETERS: 9.8344 9.0230 5.2370 90.000 104.700 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Si 0.28780 0.09240 0.23260 1.000 0.382 Fe 0.00000 0.90750 0.25000 1.000 0.436 Ca 0.00000 0.30030 0.25000 1.000 0.655 O 0.11970 0.09040 0.15250 1.000 0.582 O 0.36270 0.24610 0.32280 1.000 0.776 O 0.35020 0.01980 0.99320 1.000 0.656 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: 19.16212387 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.53 23.48 6.5464 1 1 0 18.66 11.14 4.7562 2 0 0 19.68 6.02 4.5115 0 2 0 20.21 1.98 4.3949 -1 1 1 27.24 9.09 3.2732 2 2 0 29.80 100.00 2.9982 -2 2 1 29.87 38.65 2.9915 3 1 0 30.86 10.65 2.8974 -3 1 1 34.75 34.39 2.5817 -1 3 1 35.15 48.42 2.5534 2 2 1 35.44 42.08 2.5328 0 0 2 35.71 2.30 2.5146 -1 1 2 37.83 2.89 2.3781 4 0 0 38.44 4.79 2.3420 3 1 1 40.36 13.36 2.2345 1 1 2 40.80 1.05 2.2117 -3 1 2 40.86 2.48 2.2085 0 2 2 41.38 4.59 2.1821 3 3 0 42.13 23.39 2.1448 -3 3 1 42.68 13.93 2.1186 -4 2 1 43.94 5.27 2.0607 0 4 1 44.59 10.04 2.0319 2 0 2 45.20 12.89 2.0062 -4 0 2 45.96 3.52 1.9748 -1 3 2 46.17 1.93 1.9663 -2 4 1 47.68 1.04 1.9074 -5 1 1 48.20 5.68 1.8879 3 3 1 48.93 1.00 1.8616 5 1 0 49.18 1.04 1.8526 2 2 2 49.82 1.57 1.8302 1 3 2 50.02 2.24 1.8234 2 4 1 50.58 4.08 1.8047 4 2 1 51.55 15.94 1.7730 1 5 0 52.64 1.99 1.7386 3 1 2 53.98 1.27 1.6987 -1 5 1 54.47 5.88 1.6845 0 4 2 55.74 1.70 1.6491 -3 1 3 56.19 14.59 1.6371 -5 3 1 56.20 5.10 1.6366 4 4 0 56.82 17.05 1.6203 -2 2 3 58.19 5.10 1.5854 6 0 0 58.88 6.07 1.5684 3 5 0 59.71 6.01 1.5486 4 0 2 60.17 3.38 1.5380 -6 2 1 60.52 5.47 1.5297 -6 0 2 61.57 12.29 1.5063 -1 3 3 61.68 5.01 1.5038 0 6 0 62.31 1.73 1.4902 -4 2 3 62.51 1.21 1.4859 -1 5 2 63.50 1.88 1.4650 -3 3 3 63.51 1.19 1.4647 4 2 2 64.45 17.79 1.4457 5 3 1 65.70 5.70 1.4212 1 5 2 66.01 8.57 1.4153 -3 5 2 66.36 1.11 1.4087 1 3 3 66.61 4.68 1.4040 2 2 3 68.16 1.72 1.3758 -2 4 3 69.68 4.19 1.3495 6 2 1 70.02 2.05 1.3438 7 1 0 70.63 6.18 1.3337 -7 1 2 71.87 4.15 1.3135 -5 3 3 73.19 6.33 1.2931 0 6 2 73.96 3.45 1.2815 -3 1 4 74.29 1.08 1.2767 4 4 2 75.00 3.46 1.2664 0 0 4 75.14 7.22 1.2643 3 5 2 75.58 1.99 1.2580 -4 0 4 76.25 1.57 1.2487 -1 7 1 77.72 2.43 1.2287 1 7 1 80.83 1.93 1.1891 8 0 0 81.10 1.29 1.1858 -8 2 1 85.04 2.86 1.1406 -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.