Defernite Armbruster T, Yang P, Liebich B W American Mineralogist 81 (1996) 625-631 Mechanism of the SiO4 for CO3 substitution in defernite, Ca6(CO3)1.58(Si2O7)0.21(OH)7[Cl0.50(OH)0.08(H2O)0.42]: A single-crystal X-ray study at 100 K _database_code_amcsd 0001795 CELL PARAMETERS: 17.7440 22.6010 3.6330 90.000 90.000 90.000 SPACE GROUP: Pnam X-RAY WAVELENGTH: 1.541838 Cell Volume: 1456.950 Density (g/cm3): 2.473 MAX. ABS. INTENSITY / VOLUME**2: 17.47431666 RIR: 2.300 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 6.33 10.96 13.9566 1 1 0 4 7.82 100.00 11.3005 0 2 0 2 9.28 2.19 9.5316 1 2 0 4 10.71 22.27 8.2585 2 1 0 4 12.77 1.62 6.9345 1 3 0 4 15.43 2.04 5.7426 2 3 0 4 15.49 6.51 5.7220 3 1 0 4 15.68 8.95 5.6502 0 4 0 2 18.62 1.09 4.7658 2 4 0 4 20.02 2.01 4.4360 4 0 0 2 21.52 3.31 4.1292 4 2 0 4 22.07 3.73 4.0276 2 5 0 4 23.62 1.47 3.7668 0 6 0 2 25.53 7.92 3.4892 4 4 0 4 26.51 6.55 3.3620 2 0 1 4 27.25 1.98 3.2724 0 3 1 4 27.68 6.52 3.2224 2 2 1 8 27.72 1.63 3.2181 1 3 1 8 28.08 1.01 3.1772 3 6 0 4 29.12 13.49 3.0670 3 1 1 8 29.44 18.36 3.0340 2 7 0 4 29.66 8.86 3.0115 1 4 1 8 29.93 15.01 2.9857 3 2 1 8 30.48 6.34 2.9323 6 1 0 4 30.95 18.98 2.8892 2 4 1 8 31.15 9.65 2.8713 4 6 0 4 31.26 2.85 2.8610 6 2 0 4 31.60 6.50 2.8317 0 5 1 4 31.67 1.31 2.8251 0 8 0 2 32.01 2.84 2.7964 1 5 1 8 32.09 7.95 2.7892 4 1 1 8 32.53 11.47 2.7528 6 3 0 4 32.99 1.74 2.7149 3 4 1 8 34.05 2.90 2.6334 4 3 1 8 34.67 1.47 2.5870 1 6 1 8 35.14 1.01 2.5541 3 5 1 8 35.20 2.25 2.5493 3 8 0 4 35.59 2.70 2.5228 5 1 1 8 36.12 1.42 2.4864 1 9 0 4 36.32 1.79 2.4734 7 2 0 4 37.38 3.46 2.4057 5 3 1 8 37.43 2.30 2.4025 7 3 0 4 37.61 3.07 2.3914 1 7 1 8 37.66 1.83 2.3882 5 7 0 4 38.89 2.13 2.3156 5 4 1 8 39.28 1.03 2.2935 6 0 1 4 40.36 3.33 2.2345 3 7 1 8 40.68 1.75 2.2180 8 0 0 2 40.77 1.42 2.2134 5 5 1 8 40.78 4.54 2.2128 1 8 1 8 40.81 1.80 2.2109 7 5 0 4 41.22 1.56 2.1902 2 10 0 4 43.36 1.33 2.0868 3 8 1 8 43.73 2.40 2.0701 7 1 1 8 43.83 1.02 2.0658 0 9 1 4 44.14 3.97 2.0519 1 9 1 8 45.25 1.69 2.0040 7 3 1 8 45.45 1.40 1.9956 5 7 1 8 46.55 10.65 1.9510 7 4 1 8 46.57 2.01 1.9502 3 9 1 8 47.50 2.51 1.9142 6 9 0 4 48.18 5.32 1.8887 7 5 1 8 48.19 3.98 1.8883 5 8 1 8 48.32 2.38 1.8834 0 12 0 2 48.61 1.16 1.8729 1 12 0 4 49.66 1.02 1.8360 8 3 1 8 49.96 9.82 1.8254 3 10 1 8 50.23 13.78 1.8165 0 0 2 2 50.92 1.62 1.7935 0 2 2 4 51.31 1.84 1.7806 6 8 1 8 51.35 1.61 1.7794 1 11 1 8 51.51 1.11 1.7741 2 1 2 8 52.34 6.88 1.7479 7 7 1 8 52.95 1.02 1.7293 0 4 2 4 53.00 5.79 1.7278 9 1 1 8 53.02 1.46 1.7271 10 3 0 4 53.50 2.85 1.7128 9 2 1 8 53.53 2.27 1.7119 3 11 1 8 54.83 2.93 1.6744 7 8 1 8 55.39 1.24 1.6587 4 11 1 8 55.65 1.36 1.6517 10 5 0 4 56.34 1.09 1.6331 8 7 1 8 59.29 2.58 1.5585 2 7 2 8 59.44 1.98 1.5550 10 7 0 4 59.90 1.98 1.5442 6 1 2 8 60.29 3.22 1.5351 4 6 2 8 60.99 1.15 1.5193 11 5 0 4 61.09 1.61 1.5170 4 14 0 4 61.12 2.38 1.5162 6 3 2 8 64.28 1.17 1.4491 10 9 0 4 65.17 1.01 1.4314 3 14 1 8 71.62 1.01 1.3176 6 9 2 8 73.02 1.06 1.2957 5 15 1 8 81.48 1.08 1.1813 10 7 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.