LiFe.74Sc.26Si2O6 Redhammer G J, Roth G Zeitschrift fur Kristallographie 219 (2004) 278-294 Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes Me3+ = Al, Ga, Cr, V, Fe, Sc, and In Sample: ScFe70 Note: y(O3) changed to match reported bond lengths _database_code_amcsd 0011116 CELL PARAMETERS: 9.7040 8.7370 5.3120 90.000 110.200 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 422.671 Density (g/cm3): 3.333 MAX. ABS. INTENSITY / VOLUME**2: 16.10005002 RIR: 1.573 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.05 47.80 6.3048 1 1 0 4 19.89 32.57 4.4640 -1 1 1 4 20.33 30.33 4.3685 0 2 0 2 25.29 37.10 3.5223 1 1 1 4 27.14 4.16 3.2855 0 2 1 4 28.31 1.70 3.1524 2 2 0 4 29.69 100.00 3.0091 -2 2 1 4 31.19 60.07 2.8676 3 1 0 4 32.27 10.21 2.7739 1 3 0 4 34.54 1.75 2.5965 -2 0 2 2 35.34 13.33 2.5401 -1 3 1 4 35.42 3.70 2.5344 -1 1 2 4 36.03 31.98 2.4926 0 0 2 2 37.21 23.38 2.4162 2 2 1 4 38.77 1.03 2.3224 1 3 1 4 40.41 2.22 2.2320 -2 2 2 4 41.34 1.52 2.1843 0 4 0 2 42.04 16.10 2.1490 1 1 2 4 42.50 16.49 2.1271 -3 3 1 4 42.87 7.26 2.1096 -4 2 1 4 43.61 7.70 2.0754 -4 0 2 2 45.33 3.88 2.0006 0 4 1 4 46.09 1.26 1.9694 2 4 0 4 47.01 14.01 1.9330 -2 4 1 4 47.23 3.64 1.9244 2 0 2 2 48.03 7.31 1.8942 -5 1 1 4 48.57 2.85 1.8746 -4 2 2 4 49.61 3.57 1.8377 -3 3 2 4 51.92 1.06 1.7611 2 2 2 4 52.44 2.89 1.7448 2 4 1 4 53.39 7.01 1.7161 1 5 0 4 53.97 3.67 1.6991 4 2 1 4 55.98 8.65 1.6428 0 4 2 4 56.05 17.69 1.6407 -2 2 3 4 56.24 8.83 1.6356 3 1 2 4 56.90 1.07 1.6182 -4 4 1 4 57.03 16.39 1.6148 -5 3 1 4 58.56 7.95 1.5762 4 4 0 4 59.35 2.93 1.5571 -6 0 2 2 60.78 1.08 1.5239 -3 5 1 4 60.80 2.15 1.5235 5 1 1 4 60.96 3.16 1.5198 1 1 3 4 61.05 3.24 1.5179 6 0 0 2 61.15 1.54 1.5155 -6 2 1 4 61.20 3.50 1.5144 3 5 0 4 61.65 2.47 1.5045 -4 4 2 4 62.01 7.08 1.4966 -1 3 3 4 62.17 3.59 1.4932 -5 1 3 4 62.41 2.66 1.4880 -3 3 3 4 63.82 1.44 1.4585 -1 5 2 4 63.93 5.96 1.4562 0 6 0 2 64.23 1.90 1.4501 4 0 2 2 66.49 5.88 1.4062 -3 5 2 4 68.13 1.75 1.3763 4 2 2 4 68.19 5.65 1.3753 -2 4 3 4 68.26 1.42 1.3741 -2 6 1 4 68.69 14.68 1.3664 5 3 1 4 68.85 2.01 1.3637 1 3 3 4 69.88 9.28 1.3461 -7 1 2 4 69.98 2.64 1.3444 -5 3 3 4 70.03 2.34 1.3435 2 2 3 4 72.11 2.92 1.3098 -3 1 4 4 72.86 4.60 1.2982 -4 0 4 2 73.61 2.49 1.2868 7 1 0 4 74.60 1.22 1.2721 6 2 1 4 74.74 2.18 1.2701 -2 6 2 4 74.89 1.13 1.2679 -6 4 2 4 75.63 8.11 1.2573 0 6 2 4 76.42 1.55 1.2463 0 0 4 2 78.88 1.24 1.2136 -1 7 1 4 79.52 5.81 1.2054 3 5 2 4 80.98 1.82 1.1873 1 7 1 4 81.21 1.63 1.1845 -6 0 4 2 83.26 1.40 1.1604 -8 2 1 4 88.62 1.44 1.1036 -8 2 3 4 88.67 2.45 1.1031 -7 1 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.