Pyroxene-ideal Thompson R M, Downs R T American Mineralogist 88 (2003) 653-666 Model pyroxenes I: Ideal pyroxene topologies Pyroxene #12a based on stacking sequence ABABABABCBAC Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. _database_code_amcsd 0003011 CELL PARAMETERS: 19.5959 6.0000 3.4641 90.000 90.000 90.000 SPACE GROUP: P2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 407.293 Density (g/cm3): 9.821 MAX. ABS. INTENSITY / VOLUME**2: 17.25814807 RIR: 0.572 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 4 27.31 4.26 3.2660 6 0 0 2 29.78 9.04 3.0000 0 2 0 2 29.78 12.78 3.0000 0 1 1 4 30.14 14.33 2.9654 -1 1 1 4 30.14 1.72 2.9654 1 1 1 4 31.18 3.93 2.8685 -2 1 1 4 31.18 1.08 2.8685 2 1 1 4 32.85 2.91 2.7262 3 1 1 4 40.02 2.21 2.2528 1 2 1 4 40.84 29.86 2.2094 6 2 0 4 40.84 4.80 2.2094 6 1 1 4 40.84 6.96 2.2094 -6 1 1 4 40.84 5.22 2.2094 -2 2 1 4 40.84 5.99 2.2094 2 2 1 4 42.18 7.32 2.1423 3 2 1 4 42.18 59.14 2.1423 -3 2 1 4 44.00 1.11 2.0580 4 2 1 4 44.00 7.23 2.0580 -4 2 1 4 44.25 98.53 2.0467 9 1 0 4 44.25 1.43 2.0467 7 1 1 4 46.25 9.35 1.9629 5 2 1 4 47.95 3.04 1.8974 8 1 1 4 48.89 9.64 1.8628 6 2 1 4 48.89 3.39 1.8628 -6 2 1 4 51.89 2.73 1.7621 -9 1 1 4 51.89 1.67 1.7621 9 1 1 4 51.89 2.60 1.7621 7 2 1 4 51.89 5.01 1.7621 -7 2 1 4 52.86 1.17 1.7321 0 3 1 4 53.08 2.44 1.7253 -1 3 1 4 53.08 3.18 1.7253 1 3 1 4 53.08 1.59 1.7253 -1 0 2 2 53.08 1.22 1.7253 1 0 2 2 53.74 8.98 1.7056 -2 3 1 4 53.74 3.59 1.7056 2 3 1 4 53.74 1.80 1.7056 -2 0 2 2 53.74 4.49 1.7056 2 0 2 2 54.84 11.24 1.6742 -3 3 1 4 54.84 5.62 1.6742 3 0 2 2 55.20 1.63 1.6641 -8 2 1 4 56.06 2.05 1.6406 -10 1 1 4 56.06 2.15 1.6406 -2 1 2 4 56.06 1.92 1.6406 2 1 2 4 56.34 4.51 1.6330 12 0 0 2 56.34 7.98 1.6330 4 3 1 4 56.34 1.75 1.6330 -4 3 1 4 56.34 3.99 1.6330 -4 0 2 2 57.12 22.45 1.6126 3 1 2 4 57.12 2.88 1.6126 -3 1 2 4 58.24 17.27 1.5842 5 3 1 4 58.24 3.50 1.5842 -5 3 1 4 58.24 8.63 1.5842 -5 0 2 2 58.24 1.75 1.5842 5 0 2 2 58.58 2.83 1.5757 4 1 2 4 58.79 1.77 1.5706 -9 2 1 4 58.79 1.47 1.5706 9 2 1 4 60.44 3.87 1.5317 -5 1 2 4 60.50 29.62 1.5302 -6 3 1 4 60.50 14.81 1.5302 6 0 2 2 61.85 1.31 1.5000 0 2 2 4 62.06 1.50 1.4956 1 2 2 4 62.66 1.46 1.4827 6 1 2 4 62.66 4.23 1.4827 -6 1 2 4 63.12 5.82 1.4729 -7 3 1 4 63.12 2.91 1.4729 7 0 2 2 65.03 4.48 1.4343 12 1 1 4 65.03 1.32 1.4343 -12 1 1 4 65.22 2.31 1.4304 7 1 2 4 65.22 1.25 1.4304 -7 1 2 4 66.07 4.74 1.4142 8 3 1 4 66.07 2.37 1.4142 -8 0 2 2 68.88 5.44 1.3631 6 4 0 4 68.88 1.04 1.3631 2 4 1 4 68.88 1.26 1.3631 6 2 2 4 69.33 3.81 1.3555 -9 3 1 4 69.33 1.90 1.3555 9 3 1 4 69.33 1.91 1.3555 9 0 2 2 69.83 11.60 1.3469 -3 4 1 4 69.83 1.60 1.3469 3 4 1 4 71.15 1.44 1.3252 -12 2 1 4 71.15 1.44 1.3252 -4 4 1 4 71.33 1.02 1.3222 9 1 2 4 72.83 2.05 1.2987 5 4 1 4 72.89 1.36 1.2978 -10 3 1 4 74.30 2.65 1.2765 15 1 0 4 74.86 2.33 1.2684 6 4 1 4 76.75 1.22 1.2418 -11 3 1 4 76.75 5.88 1.2418 11 3 1 4 76.75 2.94 1.2418 -11 0 2 2 77.23 1.30 1.2352 -7 4 1 4 80.67 1.84 1.1911 14 2 1 4 80.91 20.77 1.1882 -12 3 1 4 80.91 10.39 1.1882 12 0 2 2 85.37 4.94 1.1371 -13 3 1 4 85.37 2.47 1.1371 13 0 2 2 85.85 3.37 1.1320 15 2 1 4 88.51 1.77 1.1047 -12 2 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.