Protopyroxene Yang H, Finger L W, Conrad P G, Prewitt C T, Hazen R M American Mineralogist 84 (1999) 245-256 A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 6.14 GPa, (Mg1.54Li.23Sc.23)Si2O6 _database_code_amcsd 0002097 CELL PARAMETERS: 9.0548 8.7120 5.1209 90.000 90.000 90.000 SPACE GROUP: P2_1cn X-RAY WAVELENGTH: 1.541838 Cell Volume: 403.964 Density (g/cm3): 3.313 MAX. ABS. INTENSITY / VOLUME**2: 8.358012129 RIR: 0.821 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.11 5.25 6.2780 1 1 0 2 20.11 3.76 4.4147 0 1 1 4 20.39 15.53 4.3560 0 2 0 2 22.40 4.62 3.9682 1 1 1 4 26.87 3.37 3.3180 0 2 1 4 28.23 23.41 3.1608 2 1 1 4 28.43 25.68 3.1390 2 2 0 2 28.65 100.00 3.1154 1 2 1 4 31.37 73.54 2.8520 3 1 0 2 32.38 3.26 2.7653 1 3 0 2 33.48 73.80 2.6762 2 2 1 4 35.54 2.90 2.5261 0 3 1 4 36.05 7.90 2.4916 3 1 1 4 36.47 46.61 2.4638 1 0 2 2 36.94 33.85 2.4332 1 3 1 4 37.95 3.65 2.3709 1 1 2 4 39.82 2.00 2.2637 4 0 0 1 40.47 28.23 2.2287 2 0 2 2 40.91 23.63 2.2059 2 3 1 4 41.84 3.45 2.1592 2 1 2 4 45.00 4.61 2.0143 4 1 1 4 45.24 1.96 2.0043 0 4 1 4 45.73 1.80 1.9841 2 2 2 4 46.26 1.99 1.9627 2 4 0 2 46.40 13.12 1.9569 1 4 1 4 46.51 4.37 1.9525 3 0 2 2 46.90 18.02 1.9372 3 3 1 4 47.74 5.09 1.9053 3 1 2 4 48.45 1.95 1.8788 1 3 2 4 48.69 9.02 1.8700 4 2 1 4 49.75 8.99 1.8327 2 4 1 4 51.28 4.95 1.7817 3 2 2 4 51.54 4.59 1.7731 5 1 0 2 53.56 6.59 1.7110 1 5 0 2 54.07 10.69 1.6959 4 0 2 2 54.42 11.09 1.6858 4 3 1 4 54.79 1.40 1.6755 5 1 1 4 55.00 1.99 1.6697 3 4 1 4 55.17 6.54 1.6647 4 1 2 4 55.73 1.34 1.6495 0 5 1 4 55.81 2.34 1.6472 1 1 3 4 56.38 4.03 1.6318 1 4 2 4 56.73 1.48 1.6228 1 5 1 4 58.02 1.19 1.5896 5 2 1 4 58.03 19.30 1.5893 0 2 3 4 58.39 2.75 1.5804 4 2 2 4 58.77 1.16 1.5710 2 1 3 4 58.84 3.06 1.5695 4 4 0 2 59.01 3.88 1.5654 1 2 3 4 59.33 1.98 1.5577 2 4 2 4 61.44 5.25 1.5091 6 0 0 1 61.44 5.87 1.5090 3 5 0 2 62.85 2.34 1.4785 5 0 2 2 63.17 33.27 1.4718 5 3 1 4 63.18 14.36 1.4716 0 3 3 4 63.52 2.71 1.4647 3 1 3 4 63.86 5.85 1.4577 5 1 2 4 64.05 1.51 1.4538 3 4 2 4 64.11 5.90 1.4525 1 3 3 4 64.14 17.51 1.4520 0 6 0 2 64.36 1.57 1.4475 3 5 1 4 65.63 6.10 1.4226 1 5 2 4 66.49 3.17 1.4063 3 2 3 4 66.85 1.14 1.3995 2 3 3 4 68.28 1.57 1.3737 6 2 1 4 68.33 1.32 1.3727 2 5 2 4 70.03 6.58 1.3435 0 4 3 4 70.36 1.11 1.3381 4 4 2 4 70.91 1.25 1.3290 1 4 3 4 71.30 7.20 1.3227 3 3 3 4 72.74 5.58 1.3001 6 0 2 2 72.74 1.59 1.3000 3 5 2 4 73.03 16.63 1.2955 6 3 1 4 73.53 1.12 1.2880 2 4 3 4 73.67 9.37 1.2859 6 1 2 4 74.10 2.61 1.2795 7 1 0 2 74.91 3.36 1.2676 1 0 4 2 74.98 1.85 1.2666 0 1 4 4 75.76 1.42 1.2556 5 5 0 2 75.84 2.12 1.2544 1 1 4 4 76.09 9.45 1.2509 1 6 2 4 77.48 2.35 1.2319 2 0 4 2 78.40 3.76 1.2198 2 1 4 4 78.64 3.67 1.2166 2 6 2 4 78.74 4.17 1.2153 4 5 2 4 79.28 2.19 1.2084 1 5 3 4 82.57 1.36 1.1684 2 7 1 4 84.91 1.39 1.1421 5 3 3 4 85.32 1.69 1.1377 3 2 4 4 85.86 1.10 1.1319 8 0 0 1 86.29 3.56 1.1273 5 5 2 4 88.44 1.29 1.1054 4 1 4 4 88.69 3.88 1.1030 4 6 2 4 89.57 1.86 1.0944 6 2 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.