Danburite Sugiyama K, Takeuchi Y Zeitschrift fur Kristallographie 173 (1985) 293-304 Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8 Locality: Toroku mine, Miyazaki Prefecture, Japan Note: AnisoB's from ICSD Sample: T = 910 C _database_code_amcsd 0010951 CELL PARAMETERS: 8.1010 8.8010 7.7860 90.000 90.000 90.000 SPACE GROUP: Pnam X-RAY WAVELENGTH: 1.541838 Cell Volume: 555.118 Density (g/cm3): 2.941 MAX. ABS. INTENSITY / VOLUME**2: 4.950076524 RIR: 0.548 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.19 2.35 5.8315 0 1 1 4 20.18 4.60 4.4005 0 2 0 2 21.94 8.29 4.0505 2 0 0 2 22.84 57.79 3.8930 0 0 2 2 23.00 2.54 3.8668 1 2 0 4 24.19 14.30 3.6795 2 1 0 4 24.78 100.00 3.5933 2 0 1 4 25.72 77.35 3.4632 1 2 1 8 26.80 33.07 3.3267 2 1 1 8 27.36 68.31 3.2594 1 1 2 8 29.98 82.59 2.9802 2 2 0 4 30.66 29.94 2.9158 0 2 2 4 32.46 56.37 2.7584 1 3 0 4 32.62 42.92 2.7453 0 3 1 4 32.64 2.73 2.7435 1 2 2 8 33.51 59.47 2.6741 2 1 2 8 34.50 1.29 2.6000 1 3 1 8 34.75 9.75 2.5816 3 1 0 4 36.08 12.75 2.4894 0 1 3 4 36.67 20.30 2.4504 3 1 1 8 37.81 12.03 2.3795 1 1 3 8 38.03 19.80 2.3664 2 2 2 8 39.14 2.91 2.3015 3 2 0 4 40.06 1.40 2.2507 1 3 2 8 41.02 10.01 2.2002 0 4 0 2 41.32 18.60 2.1852 2 0 3 4 41.92 19.17 2.1550 1 2 3 8 41.99 18.02 2.1515 3 1 2 8 42.58 4.14 2.1233 1 4 0 4 42.63 2.74 2.1208 2 1 3 8 44.21 1.80 2.0485 1 4 1 8 44.68 20.94 2.0281 2 3 2 8 44.75 4.18 2.0252 4 0 0 2 45.66 10.56 1.9868 3 3 0 4 45.80 10.89 1.9812 3 2 2 8 46.32 8.50 1.9600 4 0 1 4 46.39 25.17 1.9572 2 2 3 8 46.66 18.30 1.9465 0 0 4 2 46.73 5.22 1.9438 0 3 3 4 47.21 4.53 1.9251 3 3 1 8 47.53 6.82 1.9132 4 1 1 8 48.14 1.82 1.8902 1 3 3 8 48.52 1.55 1.8764 2 4 1 8 49.25 3.01 1.8503 1 1 4 8 49.82 8.76 1.8303 3 1 3 8 51.33 3.05 1.7801 0 2 4 4 51.65 3.85 1.7697 3 3 2 8 51.94 5.71 1.7604 4 1 2 8 52.64 3.65 1.7386 1 2 4 8 52.87 1.27 1.7316 2 4 2 8 53.19 11.00 1.7220 3 2 3 8 53.24 1.32 1.7206 2 1 4 8 53.26 24.94 1.7201 1 5 0 4 53.36 6.17 1.7169 0 5 1 4 54.65 1.27 1.6796 1 5 1 8 55.10 8.97 1.6667 4 3 0 4 55.12 11.13 1.6662 3 4 1 8 55.22 5.54 1.6634 4 2 2 8 55.95 6.39 1.6434 1 4 3 8 56.46 1.31 1.6298 4 3 1 8 56.46 1.48 1.6297 2 2 4 8 57.05 1.05 1.6144 2 5 0 4 57.74 2.17 1.5966 4 0 3 4 57.87 3.96 1.5934 5 1 0 4 58.51 8.11 1.5776 3 3 3 8 58.68 1.50 1.5733 1 5 2 8 58.78 1.17 1.5710 4 1 3 8 59.13 11.42 1.5623 3 4 2 8 59.19 1.27 1.5611 5 1 1 8 59.47 1.56 1.5542 3 1 4 8 60.37 2.50 1.5334 0 1 5 4 60.93 1.38 1.5204 5 2 0 4 61.81 11.88 1.5009 4 2 3 8 63.85 1.25 1.4579 0 4 4 4 64.06 12.24 1.4535 2 0 5 4 64.29 7.71 1.4488 3 5 1 8 64.51 4.64 1.4445 1 2 5 8 64.57 1.46 1.4434 1 6 0 4 65.00 2.22 1.4348 1 4 4 8 65.04 4.96 1.4341 2 1 5 8 65.81 1.01 1.4192 1 6 1 8 65.96 4.00 1.4162 5 2 2 8 66.69 7.75 1.4024 4 3 3 8 67.35 1.29 1.3904 3 3 4 8 67.97 4.63 1.3792 2 6 0 4 67.98 2.63 1.3790 3 5 2 8 68.18 3.05 1.3754 0 3 5 4 68.34 2.27 1.3726 0 6 2 4 69.18 1.80 1.3579 5 1 3 8 69.45 1.47 1.3533 1 6 2 8 70.42 1.20 1.3370 4 2 4 8 70.57 2.78 1.3346 6 1 0 4 70.64 1.02 1.3334 3 1 5 8 71.98 1.08 1.3119 5 2 3 8 72.44 4.43 1.3046 5 4 0 4 72.74 1.35 1.3000 2 6 2 8 72.89 3.49 1.2977 0 0 6 2 73.47 1.44 1.2889 3 6 0 4 73.47 1.22 1.2889 1 5 4 8 73.62 1.94 1.2867 5 4 1 8 73.93 4.06 1.2821 3 5 3 8 75.03 3.09 1.2660 4 3 4 8 75.35 1.21 1.2614 1 6 3 8 76.55 4.34 1.2446 5 3 3 8 77.10 3.15 1.2370 5 4 2 8 77.19 1.02 1.2358 2 0 6 4 77.29 3.51 1.2345 4 0 5 4 77.40 2.51 1.2330 5 1 4 8 77.95 2.70 1.2256 3 3 5 8 77.99 1.56 1.2252 6 2 2 8 78.54 4.23 1.2179 2 6 3 8 80.13 2.26 1.1978 6 0 3 4 80.59 1.83 1.1921 5 5 0 4 80.87 1.52 1.1886 4 2 5 8 81.28 6.01 1.1836 1 7 2 8 82.07 3.12 1.1742 1 3 6 8 82.45 2.47 1.1698 6 3 2 8 82.75 1.80 1.1663 0 5 5 4 83.35 1.57 1.1594 3 1 6 8 84.19 4.17 1.1500 3 4 5 8 85.21 1.42 1.1389 2 3 6 8 85.45 2.68 1.1362 4 6 2 8 86.00 1.78 1.1304 3 2 6 8 86.93 1.80 1.1206 1 7 3 8 87.61 1.30 1.1137 5 1 5 8 88.63 1.74 1.1035 0 1 7 4 88.93 1.20 1.1006 7 1 2 8 88.98 2.75 1.1001 0 8 0 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.