Forsterite Heuer M Journal of Applied Crystallography 34 (2001) 271-279 The determination of site occupancies using a new strategy in Rietveld refinements Note: results of the conventional Rietveld refinement on the whole data set Locality: synthetic _database_code_amcsd 0020681 CELL PARAMETERS: 4.7645 10.2347 5.9973 90.000 90.000 90.000 SPACE GROUP: Pbnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 292.445 Density (g/cm3): 3.360 MAX. ABS. INTENSITY / VOLUME**2: 8.309502821 RIR: 0.805 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.33 24.82 5.1173 0 2 0 2 22.84 59.87 3.8928 0 2 1 4 23.85 20.21 3.7305 1 0 1 4 25.41 19.33 3.5050 1 1 1 8 25.54 14.50 3.4871 1 2 0 4 29.63 5.86 3.0145 1 2 1 8 29.79 16.04 2.9986 0 0 2 2 32.27 71.19 2.7738 1 3 0 4 34.67 3.05 2.5872 0 2 2 4 35.66 79.03 2.5176 1 3 1 8 36.48 100.00 2.4632 1 1 2 8 37.76 1.34 2.3823 2 0 0 2 38.24 12.27 2.3534 0 4 1 4 38.81 10.79 2.3202 2 1 0 4 39.64 37.16 2.2736 1 2 2 8 40.00 27.05 2.2542 1 4 0 4 41.74 16.65 2.1639 2 1 1 8 44.49 5.59 2.0362 1 3 2 8 46.49 2.59 1.9532 2 3 0 4 46.67 1.99 1.9464 0 4 2 4 48.40 6.12 1.8807 1 5 0 4 50.29 4.55 1.8142 1 1 3 8 50.88 4.20 1.7945 1 5 1 8 52.20 66.93 1.7525 2 2 2 8 52.48 20.17 1.7435 2 4 0 4 52.78 4.62 1.7343 1 2 3 8 54.83 12.99 1.6742 2 4 1 8 56.05 13.09 1.6407 0 6 1 4 56.20 2.16 1.6366 2 3 2 8 56.76 17.64 1.6218 1 3 3 8 57.38 1.44 1.6060 1 6 0 4 57.88 4.93 1.5933 1 5 2 8 58.60 9.44 1.5753 0 4 3 4 58.84 3.64 1.5694 3 1 0 4 61.03 3.44 1.5183 3 1 1 8 61.10 2.29 1.5168 3 2 0 4 61.20 2.78 1.5145 2 1 3 8 61.52 5.37 1.5073 2 4 2 8 61.72 4.59 1.5030 2 5 1 8 61.89 25.75 1.4993 0 0 4 2 62.05 1.13 1.4957 1 4 3 8 62.66 36.66 1.4827 0 6 2 4 63.24 1.28 1.4705 3 2 1 8 63.40 1.77 1.4671 2 2 3 8 64.75 2.84 1.4398 3 3 0 4 64.80 1.44 1.4388 0 2 4 4 66.82 6.87 1.4000 3 3 1 8 66.95 10.05 1.3978 1 7 0 4 67.34 8.16 1.3905 3 1 2 8 69.44 17.07 1.3535 3 2 2 8 69.68 5.91 1.3494 3 4 0 4 71.53 8.95 1.3190 1 3 4 8 71.69 4.18 1.3165 3 4 1 8 71.85 1.29 1.3140 2 4 3 8 72.90 3.95 1.2976 0 6 3 4 74.82 2.00 1.2689 2 0 4 4 75.50 1.46 1.2593 2 1 4 8 75.53 1.51 1.2588 2 6 2 8 76.01 1.09 1.2520 1 6 3 8 76.27 1.93 1.2484 1 4 4 8 76.63 2.12 1.2435 3 0 3 4 77.58 1.29 1.2305 3 4 2 8 77.91 2.60 1.2262 2 5 3 8 80.66 4.66 1.1911 4 0 0 2 81.86 1.01 1.1767 0 8 2 4 82.23 2.34 1.1724 1 5 4 8 82.58 3.43 1.1683 3 3 3 8 82.62 2.21 1.1678 0 2 5 4 83.02 1.33 1.1632 1 0 5 4 83.52 4.18 1.1575 3 5 2 8 84.13 2.33 1.1507 2 7 2 8 84.88 2.06 1.1424 1 8 2 8 85.00 2.84 1.1411 3 6 1 8 85.40 4.81 1.1368 2 4 4 8 86.31 2.66 1.1271 2 8 0 4 87.15 4.07 1.1184 3 4 3 8 88.89 4.17 1.1009 1 3 5 8 88.93 2.63 1.1006 4 1 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.