Chabazite-Ca Gualtieri A F Journal of Applied Crystallography 33 (2000) 267-278 Accuracy of XRPD QPA using the combined Rietveld-RIR method Locality: Keller, Nidda, Germany _database_code_amcsd 0012861 CELL PARAMETERS: 9.3969 9.3969 9.3969 93.866 93.866 93.866 SPACE GROUP: R-3m X-RAY WAVELENGTH: 1.541838 Cell Volume: 823.834 Density (g/cm3): 2.324 MAX. ABS. INTENSITY / VOLUME**2: 6.796425068 RIR: 0.952 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.46 2.81 9.3510 1 0 0 6 12.90 2.43 6.8650 0 -1 1 6 13.87 37.78 6.3854 1 1 0 6 16.02 38.85 5.5338 1 -1 1 6 17.57 18.36 5.0463 1 1 1 2 18.98 3.45 4.6755 2 0 0 6 20.62 100.00 4.3083 0 -1 2 12 21.86 2.37 4.0660 2 1 0 12 22.43 1.75 3.9635 1 -2 1 6 23.01 14.02 3.8644 2 -1 1 12 24.69 35.44 3.6064 2 1 1 6 25.96 6.55 3.4325 0 -2 2 6 27.68 4.74 3.2223 2 -2 1 12 27.95 7.10 3.1927 2 2 0 6 28.64 1.83 3.1170 2 -1 2 6 30.47 8.95 2.9341 2 2 1 6 30.65 98.44 2.9169 -1 -1 3 6 30.89 40.57 2.8949 3 1 0 12 32.36 5.84 2.7669 2 -2 2 6 33.21 7.67 2.6980 3 1 1 6 34.57 9.62 2.5947 2 -3 1 12 34.96 3.62 2.5663 3 -2 1 12 35.76 9.94 2.5111 3 2 0 12 37.99 2.09 2.3682 3 2 1 12 38.31 1.21 2.3493 2 -3 2 6 39.03 1.94 2.3075 3 -2 2 12 39.73 2.00 2.2688 -1 -1 4 6 40.77 1.12 2.2130 4 -1 1 12 42.48 1.06 2.1278 3 2 2 6 42.76 1.35 2.1147 -1 -2 4 12 43.42 5.64 2.0841 4 -2 1 12 44.06 1.79 2.0554 3 -3 2 12 45.79 1.41 1.9817 2 -4 2 6 46.86 1.49 1.9387 0 -3 4 12 47.77 3.86 1.9040 3 -4 1 12 48.69 4.12 1.8702 5 0 0 6 48.73 4.82 1.8688 3 3 2 6 50.45 3.44 1.8089 4 -1 3 12 50.45 11.53 1.8089 5 1 0 12 50.46 1.03 1.8085 4 3 0 12 50.71 3.94 1.8004 3 -4 2 12 51.29 1.15 1.7814 4 -3 2 12 51.85 2.89 1.7634 -1 -2 5 12 52.47 1.46 1.7441 4 3 1 12 53.38 7.36 1.7162 0 -4 4 6 54.11 1.83 1.6950 5 -1 2 12 54.35 1.78 1.6880 -2 -2 5 6 54.56 1.74 1.6821 3 3 3 2 56.11 2.90 1.6392 -1 -3 5 12 56.25 1.69 1.6353 4 -3 3 12 57.75 1.41 1.5963 4 4 0 6 59.30 1.03 1.5582 5 -1 3 12 59.41 3.52 1.5556 0 -1 6 12 61.19 3.42 1.5148 0 -4 5 12 61.32 2.22 1.5117 0 -2 6 12 62.82 1.33 1.4792 3 -5 3 6 63.82 1.24 1.4585 -2 -2 6 6 64.43 1.18 1.4460 4 -5 2 12 65.01 1.75 1.4347 5 3 2 12 66.16 1.14 1.4124 6 -3 1 12 66.21 3.11 1.4115 6 2 1 12 66.21 1.73 1.4115 5 4 0 12 69.05 2.68 1.3602 6 -3 2 12 69.71 2.39 1.3490 6 2 2 6 71.40 3.54 1.3212 3 -6 3 6 76.24 1.37 1.2489 5 5 1 6 78.10 1.15 1.2237 6 -4 3 12 79.84 2.87 1.2013 7 -1 3 12 82.53 1.18 1.1689 8 0 0 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.