Pigeonite Merli M, Camara F European Journal of Mineralogy 15 (2003) 903-911 Topological analysis of the electron density of the clinopyroxene structure by the maximum entropy method: an exploratory study Sample: BTS-308 n.13 Note: Site occupancies are from personal communication with Camara, Dec 2003 Locality: in ryodacite, Parana, Brazil _database_code_amcsd 0007018 CELL PARAMETERS: 9.7160 8.9480 5.2500 90.000 108.490 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 432.867 Density (g/cm3): 3.548 MAX. ABS. INTENSITY / VOLUME**2: 11.59444643 RIR: 1.064 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.79 2.39 6.4193 1 1 0 4 19.27 11.28 4.6072 2 0 0 2 20.01 11.74 4.4376 -1 1 1 4 20.41 3.67 4.3508 0 1 1 4 24.94 1.10 3.5707 1 1 1 4 26.48 1.68 3.3662 -1 2 1 4 26.79 15.35 3.3279 0 2 1 4 27.80 51.65 3.2097 2 2 0 4 29.59 100.00 3.0184 -2 2 1 4 30.63 40.93 2.9191 -3 1 1 4 30.78 45.91 2.9051 3 1 0 4 34.83 45.86 2.5760 -1 3 1 4 35.07 2.03 2.5587 0 3 1 4 36.08 49.69 2.4895 0 0 2 2 36.50 27.25 2.4614 2 2 1 4 37.32 4.58 2.4098 -2 3 1 4 38.00 3.12 2.3679 1 3 1 4 40.37 13.87 2.2344 3 1 1 4 40.42 3.75 2.2317 1 0 2 2 40.66 2.37 2.2188 -2 2 2 4 41.51 4.78 2.1754 0 2 2 4 41.71 8.07 2.1654 1 1 2 4 42.12 37.91 2.1454 -3 3 1 4 42.23 3.10 2.1398 3 3 0 4 42.74 7.82 2.1155 -4 2 1 4 43.83 1.93 2.0657 -3 2 2 4 44.22 3.59 2.0481 4 2 0 4 44.30 15.24 2.0447 -4 0 2 2 44.40 10.61 2.0405 0 4 1 4 45.05 4.97 2.0123 2 4 0 4 45.51 1.28 1.9933 -4 1 2 4 46.26 3.83 1.9625 -2 4 1 4 46.65 10.97 1.9471 2 0 2 2 48.69 1.68 1.8703 -4 3 1 4 49.97 3.03 1.8251 3 3 1 4 50.57 3.56 1.8050 5 1 0 4 51.12 1.89 1.7869 1 3 2 4 51.16 9.85 1.7854 2 2 2 4 51.27 1.91 1.7819 2 4 1 4 52.06 11.45 1.7568 1 5 0 4 52.92 2.98 1.7302 4 2 1 4 53.92 2.11 1.7005 -1 1 3 4 54.52 3.63 1.6831 -2 4 2 4 54.86 3.92 1.6734 -3 1 3 4 55.20 1.33 1.6639 0 4 2 4 55.34 4.68 1.6602 3 1 2 4 56.52 18.51 1.6283 -2 2 3 4 56.59 25.79 1.6264 -5 3 1 4 59.72 3.45 1.5484 -3 5 1 4 59.81 5.30 1.5463 3 5 0 4 59.91 6.76 1.5440 -6 0 2 2 60.26 6.00 1.5357 6 0 0 2 61.48 4.69 1.5082 -2 3 3 4 61.96 14.44 1.4978 -1 3 3 4 62.25 12.77 1.4913 0 6 0 2 62.82 2.29 1.4792 -3 3 3 4 62.87 1.26 1.4781 -1 5 2 4 63.08 5.43 1.4738 4 0 2 2 63.32 2.14 1.4687 2 4 2 4 63.77 3.28 1.4596 -6 2 2 4 64.08 1.67 1.4531 0 5 2 4 65.82 5.28 1.4190 -3 5 2 4 66.07 2.07 1.4141 3 5 1 4 67.03 1.90 1.3962 1 5 2 4 67.28 27.72 1.3917 5 3 1 4 68.07 3.18 1.3775 -2 4 3 4 68.19 5.16 1.3753 1 3 3 4 68.51 1.32 1.3695 -7 1 1 4 69.24 1.85 1.3570 2 2 3 4 69.37 1.91 1.3547 -7 0 2 2 70.28 6.51 1.3394 -7 1 2 4 70.65 4.68 1.3333 -5 3 3 4 70.67 1.50 1.3329 0 4 3 4 72.30 2.16 1.3069 -3 0 4 2 72.59 1.73 1.3023 7 1 0 4 73.14 1.21 1.2940 6 2 1 4 73.19 1.60 1.2932 -3 1 4 4 73.53 1.05 1.2880 -2 6 2 4 73.76 1.21 1.2846 3 1 3 4 73.80 1.75 1.2840 5 1 2 4 74.11 10.17 1.2793 0 6 2 4 74.23 4.38 1.2776 -4 0 4 2 75.59 1.28 1.2580 -2 2 4 4 76.02 1.13 1.2519 4 6 0 4 76.54 2.17 1.2447 0 0 4 2 77.34 1.53 1.2339 -3 5 3 4 77.73 7.14 1.2286 3 5 2 4 79.56 2.03 1.2049 -4 6 2 4 81.25 1.04 1.1840 -5 2 4 4 81.25 1.63 1.1840 2 6 2 4 82.17 1.20 1.1731 7 1 1 4 82.64 1.03 1.1676 -8 2 1 4 82.92 1.79 1.1644 -6 0 4 2 84.03 1.62 1.1518 8 0 0 2 89.57 1.47 1.0944 -8 2 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.