Pyroxene-ideal Thompson R M, Downs R T American Mineralogist 88 (2003) 653-666 Model pyroxenes I: Ideal pyroxene topologies Pyroxene #31 based on stacking sequence ABABABACBCBC Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. _database_code_amcsd 0003039 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: 18.86194350 RIR: 0.625 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 20.10 1.15 4.4188 3 1 0 2 27.31 3.90 3.2660 6 0 0 1 29.78 8.27 3.0000 0 2 0 2 29.78 3.90 3.0000 0 1 1 2 30.14 8.63 2.9654 -1 1 1 2 30.14 15.63 2.9654 1 1 1 2 31.18 2.16 2.8685 -2 1 1 2 31.18 2.16 2.8685 2 1 1 2 40.84 27.32 2.2094 6 2 0 2 40.84 2.39 2.2094 6 1 1 2 40.84 3.18 2.2094 -6 1 1 2 40.84 21.50 2.2094 -2 2 1 2 40.84 1.08 2.2094 2 2 1 2 42.18 5.27 2.1423 3 2 1 2 42.18 24.23 2.1423 -3 2 1 2 44.00 36.27 2.0580 -4 2 1 2 44.25 90.15 2.0467 9 1 0 2 44.25 2.70 2.0467 7 1 1 2 44.25 7.15 2.0467 -7 1 1 2 46.25 3.11 1.9629 5 2 1 2 46.25 3.11 1.9629 -5 2 1 2 48.89 2.23 1.8628 6 2 1 2 48.89 2.23 1.8628 -6 2 1 2 51.89 1.22 1.7621 7 2 1 2 51.89 1.22 1.7621 -7 2 1 2 53.08 1.68 1.7253 -1 3 1 2 53.08 11.79 1.7253 1 3 1 2 53.08 5.89 1.7253 -1 0 2 1 53.74 2.10 1.7056 -2 3 1 2 53.74 2.10 1.7056 2 3 1 2 53.74 1.05 1.7056 -2 0 2 1 53.74 1.05 1.7056 2 0 2 1 54.84 3.40 1.6742 3 3 1 2 54.84 3.40 1.6742 -3 3 1 2 54.84 1.70 1.6742 3 0 2 1 54.84 1.70 1.6742 -3 0 2 1 55.20 3.77 1.6641 -8 2 1 2 55.20 5.38 1.6641 8 2 1 2 56.06 7.86 1.6406 2 1 2 2 56.34 4.13 1.6330 12 0 0 1 56.34 4.11 1.6330 4 3 1 2 56.34 4.11 1.6330 -4 3 1 2 56.34 2.05 1.6330 4 0 2 1 56.34 2.05 1.6330 -4 0 2 1 57.12 9.21 1.6126 3 1 2 2 57.12 2.05 1.6126 -3 1 2 2 58.24 5.68 1.5842 5 3 1 2 58.24 24.61 1.5842 -5 3 1 2 58.24 2.84 1.5842 -5 0 2 1 58.24 12.31 1.5842 5 0 2 1 58.58 14.32 1.5757 4 1 2 2 60.44 4.43 1.5317 11 1 1 2 60.44 1.29 1.5317 5 1 2 2 60.44 1.29 1.5317 -5 1 2 2 60.50 10.85 1.5302 -6 3 1 2 60.50 5.43 1.5302 6 0 2 1 62.06 1.65 1.4956 -1 2 2 2 63.12 18.21 1.4729 -7 3 1 2 63.12 9.10 1.4729 7 0 2 1 65.03 1.92 1.4343 12 1 1 2 66.07 1.28 1.4142 -8 3 1 2 66.07 1.28 1.4142 8 3 1 2 68.12 1.97 1.3765 8 1 2 2 68.12 2.59 1.3765 -8 1 2 2 68.88 4.97 1.3631 6 4 0 2 68.88 4.00 1.3631 -2 4 1 2 69.83 4.77 1.3469 -3 4 1 2 69.83 1.11 1.3469 3 4 1 2 71.15 7.46 1.3252 -4 4 1 2 71.33 1.46 1.3222 7 2 2 2 72.89 1.01 1.2978 10 3 1 2 72.89 1.01 1.2978 -10 3 1 2 74.30 2.42 1.2765 15 1 0 2 76.75 8.47 1.2418 -11 3 1 2 76.75 1.87 1.2418 11 3 1 2 76.75 4.24 1.2418 11 0 2 1 79.95 1.25 1.2000 -8 4 1 2 79.95 1.50 1.2000 8 4 1 2 80.67 2.45 1.1911 14 2 1 2 80.67 1.09 1.1911 -14 2 1 2 80.91 7.91 1.1882 -12 3 1 2 80.91 3.95 1.1882 12 0 2 1 84.42 1.51 1.1474 -11 2 2 2 85.37 17.14 1.1371 -13 3 1 2 85.37 8.57 1.1371 13 0 2 1 85.85 1.21 1.1320 15 2 1 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.