Pyroxene-ideal Thompson R M, Downs R T American Mineralogist 88 (2003) 653-666 Model pyroxenes I: Ideal pyroxene topologies Pyroxene #5 based on stacking sequence ABABABAC Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience. _database_code_amcsd 0003001 CELL PARAMETERS: 13.0639 6.0000 3.4641 90.000 90.000 90.000 SPACE GROUP: Pc X-RAY WAVELENGTH: 1.541838 Cell Volume: 271.529 Density (g/cm3): 9.821 MAX. ABS. INTENSITY / VOLUME**2: 17.00442997 RIR: 0.564 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 20.10 1.28 4.4188 2 1 0 2 27.31 4.32 3.2660 4 0 0 1 29.78 9.18 3.0000 0 2 0 2 29.78 22.70 3.0000 0 1 1 2 30.57 7.03 2.9239 1 1 1 2 30.57 7.03 2.9239 -1 1 1 2 32.85 2.28 2.7262 2 1 1 2 32.85 2.28 2.7262 -2 1 1 2 40.37 2.67 2.2344 1 2 1 2 40.37 2.67 2.2344 -1 2 1 2 40.84 30.30 2.2094 4 2 0 2 40.84 5.70 2.2094 -4 1 1 2 40.84 8.32 2.2094 4 1 1 2 42.18 74.67 2.1423 2 2 1 2 42.18 11.56 2.1423 -2 2 1 2 44.25 100.00 2.0467 6 1 0 2 45.07 8.37 2.0114 -3 2 1 2 45.07 8.37 2.0114 3 2 1 2 46.07 1.57 1.9703 5 1 1 2 46.07 1.57 1.9703 -5 1 1 2 48.89 5.57 1.8628 -4 2 1 2 48.89 5.57 1.8628 4 2 1 2 51.89 1.72 1.7621 -6 1 1 2 51.89 1.72 1.7621 6 1 1 2 52.86 2.09 1.7321 0 3 1 2 52.86 1.04 1.7320 0 0 2 1 53.36 3.57 1.7170 1 3 1 2 53.36 3.57 1.7170 -1 3 1 2 53.36 1.78 1.7170 -1 0 2 1 53.36 1.78 1.7170 1 0 2 1 53.50 1.97 1.7126 5 2 1 2 53.50 1.97 1.7126 -5 2 1 2 54.84 8.48 1.6742 2 3 1 2 54.84 8.48 1.6742 -2 3 1 2 54.84 4.24 1.6742 2 0 2 1 54.84 4.24 1.6742 -2 0 2 1 56.34 4.58 1.6330 8 0 0 1 57.12 4.49 1.6126 2 1 2 2 57.12 28.32 1.6126 -2 1 2 2 57.24 10.34 1.6094 -3 3 1 2 57.24 10.34 1.6094 3 3 1 2 57.24 5.17 1.6094 -3 0 2 1 57.24 5.17 1.6094 3 0 2 1 58.22 1.12 1.5847 -7 1 1 2 58.22 1.12 1.5847 7 1 1 2 58.79 2.11 1.5706 6 2 1 2 58.79 1.75 1.5706 -6 2 1 2 59.46 3.38 1.5545 -3 1 2 2 59.46 3.38 1.5545 3 1 2 2 60.50 41.29 1.5302 4 3 1 2 60.50 5.92 1.5302 -4 3 1 2 60.50 20.64 1.5302 -4 0 2 1 60.50 2.96 1.5302 4 0 2 1 61.85 2.32 1.5000 0 2 2 2 62.66 2.44 1.4827 -4 1 2 2 62.66 2.44 1.4827 4 1 2 2 64.55 4.08 1.4436 5 3 1 2 64.55 4.08 1.4436 -5 3 1 2 64.55 2.04 1.4436 -5 0 2 1 64.55 2.04 1.4436 5 0 2 1 65.03 5.51 1.4343 -8 1 1 2 65.03 1.66 1.4343 8 1 1 2 68.88 5.52 1.3631 4 4 0 2 68.88 1.51 1.3631 -4 2 2 2 68.88 1.15 1.3631 4 2 2 2 69.33 2.30 1.3555 -6 3 1 2 69.33 2.30 1.3555 6 3 1 2 69.33 1.15 1.3555 -6 0 2 1 69.33 1.15 1.3555 6 0 2 1 69.83 14.60 1.3469 2 4 1 2 69.83 2.42 1.3469 -2 4 1 2 71.33 1.22 1.3222 -6 1 2 2 71.94 1.77 1.3125 3 4 1 2 71.94 1.77 1.3125 -3 4 1 2 74.30 2.69 1.2765 10 1 0 2 74.78 2.90 1.2695 -7 3 1 2 74.78 2.90 1.2695 7 3 1 2 74.78 1.45 1.2695 -7 0 2 1 74.78 1.45 1.2695 7 0 2 1 74.86 1.34 1.2684 -4 4 1 2 74.86 1.34 1.2684 4 4 1 2 78.19 1.25 1.2226 9 2 1 2 78.19 1.25 1.2226 -9 2 1 2 80.91 2.58 1.1882 -8 3 1 2 80.91 27.86 1.1882 8 3 1 2 80.91 13.93 1.1882 -8 0 2 1 80.91 1.29 1.1882 8 0 2 1 85.85 4.78 1.1320 -10 2 1 2 87.73 4.68 1.1125 -9 3 1 2 87.73 4.68 1.1125 9 3 1 2 87.73 2.34 1.1125 -9 0 2 1 87.73 2.34 1.1125 9 0 2 1 88.51 2.17 1.1047 8 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.