Pyroxene-ideal Thompson R M, Downs R T American Mineralogist 88 (2003) 653-666 Model pyroxenes I: Ideal pyroxene topologies Pyroxene #39 based on stacking sequence ABABACABCBAC Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. _database_code_amcsd 0003053 CELL PARAMETERS: 19.5959 6.0000 3.4641 90.000 90.000 90.000 SPACE GROUP: Pc X-RAY WAVELENGTH: 1.541838 Cell Volume: 407.293 Density (g/cm3): 9.821 MAX. ABS. INTENSITY / VOLUME**2: 17.20131881 RIR: 0.570 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 20.10 1.26 4.4188 3 1 0 2 27.31 4.27 3.2660 6 0 0 1 29.78 9.07 3.0000 0 2 0 2 29.78 4.27 3.0000 0 1 1 2 30.14 3.71 2.9654 -1 1 1 2 30.14 3.71 2.9654 1 1 1 2 31.18 10.25 2.8685 -2 1 1 2 31.18 4.53 2.8685 2 1 1 2 32.85 1.00 2.7262 3 1 1 2 32.85 1.00 2.7262 -3 1 1 2 35.07 1.67 2.5584 4 1 1 2 40.02 1.13 2.2528 -1 2 1 2 40.02 5.00 2.2528 1 2 1 2 40.84 29.95 2.2094 6 2 0 2 40.84 4.50 2.2094 6 1 1 2 40.84 5.36 2.2094 -6 1 1 2 40.84 1.88 2.2094 -2 2 1 2 40.84 1.88 2.2094 2 2 1 2 42.18 14.45 2.1423 3 2 1 2 42.18 35.24 2.1423 -3 2 1 2 44.00 3.74 2.0580 4 2 1 2 44.00 3.74 2.0580 -4 2 1 2 44.25 98.86 2.0467 9 1 0 2 46.25 22.16 1.9629 5 2 1 2 46.25 3.54 1.9629 -5 2 1 2 47.95 6.87 1.8974 8 1 1 2 47.95 2.47 1.8974 -8 1 1 2 48.89 2.45 1.8628 6 2 1 2 48.89 2.45 1.8628 -6 2 1 2 51.89 6.55 1.7621 7 2 1 2 51.89 11.40 1.7621 -7 2 1 2 53.74 20.32 1.7056 -2 3 1 2 53.74 9.51 1.7056 2 3 1 2 53.74 4.75 1.7056 -2 0 2 1 53.74 10.16 1.7056 2 0 2 1 54.84 3.73 1.6742 3 3 1 2 54.84 3.73 1.6742 -3 3 1 2 54.84 1.86 1.6742 3 0 2 1 54.84 1.86 1.6742 -3 0 2 1 55.41 1.79 1.6581 -1 1 2 2 56.06 4.72 1.6406 -10 1 1 2 56.34 4.53 1.6330 12 0 0 1 56.34 20.53 1.6330 4 3 1 2 56.34 8.02 1.6330 -4 3 1 2 56.34 4.01 1.6330 4 0 2 1 56.34 10.26 1.6330 -4 0 2 1 57.12 13.43 1.6126 3 1 2 2 57.12 5.58 1.6126 -3 1 2 2 58.24 4.34 1.5842 5 3 1 2 58.24 4.34 1.5842 -5 3 1 2 58.24 2.17 1.5842 -5 0 2 1 58.24 2.17 1.5842 5 0 2 1 58.58 1.47 1.5757 4 1 2 2 58.58 1.47 1.5757 -4 1 2 2 58.79 1.43 1.5706 -9 2 1 2 58.79 1.31 1.5706 9 2 1 2 60.44 1.47 1.5317 5 1 2 2 60.44 9.17 1.5317 -5 1 2 2 60.50 2.01 1.5302 6 3 1 2 60.50 13.66 1.5302 -6 3 1 2 60.50 6.83 1.5302 6 0 2 1 60.50 1.00 1.5302 -6 0 2 1 62.66 1.07 1.4827 6 1 2 2 62.66 1.07 1.4827 -6 1 2 2 62.66 1.16 1.4827 2 2 2 2 63.12 2.30 1.4729 7 3 1 2 63.12 2.30 1.4729 -7 3 1 2 63.12 1.15 1.4729 7 0 2 1 63.12 1.15 1.4729 -7 0 2 1 65.03 2.96 1.4343 12 1 1 2 65.03 1.69 1.4343 -12 1 1 2 65.22 5.25 1.4304 7 1 2 2 65.22 3.12 1.4304 -7 1 2 2 66.07 1.58 1.4142 -8 3 1 2 66.07 10.91 1.4142 8 3 1 2 66.07 5.46 1.4142 -8 0 2 1 66.78 1.69 1.4009 -11 2 1 2 66.78 1.07 1.4009 11 2 1 2 68.88 5.45 1.3631 6 4 0 2 69.33 1.01 1.3555 -9 3 1 2 69.33 1.01 1.3555 9 3 1 2 69.83 6.99 1.3469 -3 4 1 2 69.83 2.97 1.3469 3 4 1 2 72.83 4.87 1.2987 5 4 1 2 72.89 2.85 1.2978 10 3 1 2 72.89 3.83 1.2978 -10 3 1 2 72.89 1.92 1.2978 10 0 2 1 72.89 1.43 1.2978 -10 0 2 1 74.12 1.60 1.2792 -8 2 2 2 74.30 2.66 1.2765 15 1 0 2 75.77 1.67 1.2554 -13 2 1 2 75.77 1.54 1.2554 13 2 1 2 76.75 1.48 1.2418 -11 3 1 2 76.75 1.48 1.2418 11 3 1 2 77.23 1.84 1.2352 7 4 1 2 77.23 2.97 1.2352 -7 4 1 2 78.68 1.02 1.2161 11 1 2 2 80.67 1.41 1.1911 10 2 2 2 80.91 2.11 1.1882 12 3 1 2 80.91 10.44 1.1882 -12 3 1 2 80.91 1.06 1.1882 -12 0 2 1 80.91 5.22 1.1882 12 0 2 1 85.37 2.05 1.1371 -13 3 1 2 85.37 2.05 1.1371 13 3 1 2 85.37 1.03 1.1371 -13 0 2 1 85.37 1.03 1.1371 13 0 2 1 85.85 1.50 1.1320 15 2 1 2 87.27 1.07 1.1172 13 1 2 2 87.27 1.04 1.1172 -13 1 2 2 88.51 1.19 1.1047 -12 2 2 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.