Bakerite Perchiazzi N, Gualtieri A F, Merlino S, Kampf A R American Mineralogist 89 (2004) 767-776 The atomic structure of bakerite and its relationship to datolite Sample: Refinement of the neutron data (LT) for sample #92735 _database_code_amcsd 0003544 CELL PARAMETERS: 4.7892 7.5644 9.5362 90.000 90.476 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 345.460 Density (g/cm3): 2.997 MAX. ABS. INTENSITY / VOLUME**2: 4.616789249 RIR: 0.502 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.95 3.22 5.9262 0 1 1 4 18.53 17.51 4.7890 1 0 0 2 18.61 4.77 4.7679 0 0 2 2 23.52 6.73 3.7822 0 2 0 2 23.83 27.05 3.7343 -1 1 1 4 23.95 54.21 3.7155 1 1 1 4 25.33 2.54 3.5158 0 2 1 4 26.27 5.54 3.3930 -1 0 2 2 26.49 51.13 3.3649 1 0 2 2 28.84 100.00 3.0958 -1 1 2 4 29.04 63.53 3.0745 1 1 2 4 30.11 46.63 2.9682 1 2 0 4 30.16 12.57 2.9631 0 2 2 4 31.52 86.65 2.8382 -1 2 1 4 31.62 53.92 2.8299 1 2 1 4 35.54 2.34 2.5256 -1 2 2 4 35.72 2.49 2.5140 1 2 2 4 35.80 24.57 2.5082 -1 1 3 4 36.05 55.51 2.4911 1 1 3 4 37.73 12.83 2.3840 0 0 4 2 39.47 1.81 2.2829 2 1 0 4 39.64 18.61 2.2737 0 1 4 4 40.43 38.24 2.2311 1 3 0 4 40.47 36.48 2.2290 0 3 2 4 40.56 20.64 2.2241 -2 1 1 4 41.52 32.91 2.1750 -1 2 3 4 41.61 11.60 2.1706 1 3 1 4 41.74 37.14 2.1638 1 2 3 4 42.09 9.89 2.1470 -2 0 2 2 42.20 8.15 2.1413 -1 0 4 2 42.50 14.20 2.1271 1 0 4 2 43.95 14.83 2.0603 -1 1 4 4 44.12 1.04 2.0527 2 1 2 4 44.23 1.53 2.0477 1 1 4 4 44.78 4.69 2.0238 -1 3 2 4 44.80 3.60 2.0231 2 2 0 4 44.95 1.83 2.0168 0 2 4 4 45.78 20.14 1.9819 -2 2 1 4 45.92 29.00 1.9763 2 2 1 4 45.94 11.03 1.9754 0 3 3 4 48.12 11.77 1.8911 0 4 0 2 48.77 1.78 1.8671 -2 2 2 4 48.88 3.39 1.8634 -1 2 4 4 48.94 21.29 1.8612 -2 1 3 4 49.04 1.88 1.8577 2 2 2 4 49.11 4.73 1.8550 0 4 1 4 49.27 3.80 1.8493 0 1 5 4 49.33 24.27 1.8473 2 1 3 4 50.04 2.48 1.8228 1 3 3 4 51.99 18.66 1.7589 1 4 0 4 52.02 9.55 1.7579 0 4 2 4 52.85 10.61 1.7323 0 3 4 4 52.93 3.25 1.7298 -1 1 5 4 52.97 2.10 1.7288 1 4 1 4 53.52 1.00 1.7122 -2 2 3 4 53.59 4.97 1.7101 -2 3 1 4 53.83 17.93 1.7029 0 2 5 4 53.89 2.22 1.7014 2 2 3 4 54.05 9.02 1.6965 -2 0 4 2 55.51 3.76 1.6554 -2 1 4 4 55.99 22.48 1.6423 2 1 4 4 56.28 18.27 1.6347 -2 3 2 4 56.37 12.30 1.6321 -1 3 4 4 56.51 18.34 1.6284 2 3 2 4 56.61 7.95 1.6259 1 3 4 4 57.29 5.43 1.6083 -1 2 5 4 57.58 2.87 1.6008 1 2 5 4 57.75 9.10 1.5963 3 0 0 2 58.03 5.09 1.5893 0 0 6 2 59.74 6.54 1.5479 -2 2 4 4 60.10 1.44 1.5394 3 1 1 4 60.61 1.14 1.5277 -2 3 3 4 60.91 1.02 1.5211 0 3 5 4 61.30 6.71 1.5122 -1 0 6 2 61.40 5.09 1.5100 3 0 2 2 61.64 4.38 1.5047 1 0 6 2 62.12 1.69 1.4942 0 5 1 4 62.41 5.58 1.4879 -3 1 2 4 62.75 3.11 1.4808 3 1 2 4 63.23 1.17 1.4707 3 2 0 4 63.49 6.26 1.4652 0 2 6 4 63.84 1.43 1.4580 2 1 5 4 63.98 3.00 1.4552 -3 2 1 4 64.14 3.31 1.4519 3 2 1 4 64.39 1.32 1.4469 1 3 5 4 64.61 1.72 1.4426 1 5 0 4 64.63 2.80 1.4420 0 5 2 4 65.40 4.06 1.4269 -1 5 1 4 65.81 2.44 1.4191 -2 4 2 4 66.03 3.10 1.4150 2 4 2 4 66.11 3.39 1.4133 1 4 4 4 66.48 3.36 1.4064 -3 1 3 4 66.60 1.41 1.4041 -1 2 6 4 66.93 1.12 1.3981 1 2 6 4 69.72 6.34 1.3488 3 3 0 4 70.32 1.23 1.3387 -3 2 3 4 70.80 2.85 1.3309 3 2 3 4 71.79 5.56 1.3149 -1 5 3 4 71.95 8.35 1.3124 1 5 3 4 72.95 1.39 1.2968 -1 3 6 4 73.15 3.09 1.2938 -1 1 7 4 73.33 1.53 1.2910 1 4 5 4 75.39 4.74 1.2607 0 6 0 2 75.73 3.79 1.2560 -3 2 4 4 75.86 1.67 1.2541 -2 2 6 4 76.17 1.76 1.2499 0 6 1 4 76.53 2.18 1.2448 -3 3 3 4 76.84 1.60 1.2405 -1 2 7 4 76.99 1.68 1.2385 3 3 3 4 77.13 1.57 1.2367 -2 5 2 4 77.20 4.88 1.2357 1 2 7 4 77.21 1.96 1.2356 -1 5 4 4 77.33 1.99 1.2339 2 5 2 4 77.41 2.43 1.2329 1 5 4 4 78.39 7.93 1.2198 3 4 0 4 78.64 10.06 1.2167 0 4 6 4 79.08 1.90 1.2109 -3 4 1 4 79.23 1.73 1.2090 1 6 1 4 79.23 1.30 1.2090 3 4 1 4 80.17 4.36 1.1973 4 0 0 2 80.59 1.15 1.1920 0 0 8 2 80.89 6.49 1.1884 -2 5 3 4 81.19 7.46 1.1847 2 5 3 4 81.54 1.83 1.1806 1 6 2 4 81.80 1.78 1.1775 -3 3 4 4 81.80 5.95 1.1775 0 1 8 4 82.10 1.90 1.1739 -2 1 7 4 82.40 6.78 1.1704 3 3 4 4 82.52 4.12 1.1690 -3 2 5 4 83.27 4.14 1.1604 3 2 5 4 84.02 2.36 1.1519 -1 5 5 4 85.69 3.37 1.1337 -2 2 7 4 85.82 1.18 1.1323 4 2 1 4 85.94 1.98 1.1310 -3 0 6 2 86.39 3.97 1.1263 2 2 7 4 86.84 4.28 1.1216 3 0 6 2 87.53 3.07 1.1145 0 6 4 4 88.13 1.54 1.1085 -2 6 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.