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 Note: x(B) corrected to match reported bond lengths Sample: T = 817 C _database_code_amcsd 0010950 CELL PARAMETERS: 8.0920 8.7960 7.7768 90.000 90.000 90.000 SPACE GROUP: Pnam X-RAY WAVELENGTH: 1.541838 Cell Volume: 553.531 Density (g/cm3): 2.950 MAX. ABS. INTENSITY / VOLUME**2: 4.972930936 RIR: 0.549 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.21 2.25 5.8262 0 1 1 4 20.19 4.45 4.3980 0 2 0 2 21.97 8.34 4.0460 2 0 0 2 22.87 57.57 3.8884 0 0 2 2 23.02 2.52 3.8642 1 2 0 4 24.21 14.03 3.6758 2 1 0 4 24.81 100.00 3.5893 2 0 1 4 25.74 77.16 3.4605 1 2 1 8 26.83 33.33 3.3233 2 1 1 8 27.39 68.84 3.2558 1 1 2 8 30.01 83.94 2.9776 2 2 0 4 30.69 29.91 2.9131 0 2 2 4 32.48 56.70 2.7566 1 3 0 4 32.64 43.44 2.7435 0 3 1 4 32.67 2.78 2.7409 1 2 2 8 33.55 59.91 2.6712 2 1 2 8 34.52 1.21 2.5982 1 3 1 8 34.79 9.95 2.5788 3 1 0 4 36.12 12.86 2.4865 0 1 3 4 36.72 20.47 2.4477 3 1 1 8 37.85 11.90 2.3768 1 1 3 8 38.06 20.05 2.3641 2 2 2 8 39.18 2.82 2.2993 3 2 0 4 40.10 1.37 2.2488 1 3 2 8 41.05 9.86 2.1990 0 4 0 2 41.37 18.75 2.1827 2 0 3 4 41.97 19.67 2.1527 1 2 3 8 42.04 18.63 2.1491 3 1 2 8 42.60 4.27 2.1220 1 4 0 4 42.68 2.83 2.1184 2 1 3 8 44.24 1.86 2.0472 1 4 1 8 44.72 21.46 2.0263 2 3 2 8 44.80 4.31 2.0230 4 0 0 2 45.70 10.67 1.9851 3 3 0 4 45.85 10.93 1.9792 3 2 2 8 46.38 8.56 1.9578 4 0 1 4 46.44 25.78 1.9552 2 2 3 8 46.72 18.48 1.9442 0 0 4 2 46.78 5.32 1.9421 0 3 3 4 47.26 4.56 1.9234 3 3 1 8 47.58 7.03 1.9111 4 1 1 8 48.19 1.85 1.8884 1 3 3 8 48.55 1.61 1.8751 2 4 1 8 49.31 3.05 1.8482 1 1 4 8 49.88 8.90 1.8282 3 1 3 8 51.38 3.22 1.7782 0 2 4 4 51.70 4.00 1.7680 3 3 2 8 52.01 5.81 1.7584 4 1 2 8 52.70 3.84 1.7368 1 2 4 8 52.92 1.28 1.7303 2 4 2 8 53.25 11.46 1.7202 3 2 3 8 53.29 25.62 1.7190 1 5 0 4 53.30 1.28 1.7186 2 1 4 8 53.40 6.40 1.7158 0 5 1 4 54.68 1.37 1.6785 1 5 1 8 55.16 9.16 1.6651 4 3 0 4 55.17 11.56 1.6649 3 4 1 8 55.29 5.68 1.6616 4 2 2 8 56.00 6.56 1.6420 1 4 3 8 56.52 1.37 1.6282 4 3 1 8 56.53 1.54 1.6279 2 2 4 8 57.09 1.03 1.6133 2 5 0 4 57.81 2.31 1.5948 4 0 3 4 57.94 4.08 1.5917 5 1 0 4 58.57 8.29 1.5761 3 3 3 8 58.72 1.52 1.5723 1 5 2 8 58.85 1.19 1.5692 4 1 3 8 59.19 11.69 1.5610 3 4 2 8 59.26 1.31 1.5594 5 1 1 8 59.55 1.58 1.5524 3 1 4 8 60.44 2.52 1.5316 0 1 5 4 61.00 1.35 1.5188 5 2 0 4 61.89 12.15 1.4993 4 2 3 8 63.91 1.25 1.4566 0 4 4 4 64.15 12.51 1.4518 2 0 5 4 64.35 7.91 1.4477 3 5 1 8 64.59 4.74 1.4429 1 2 5 8 64.61 1.48 1.4425 1 6 0 4 65.07 2.32 1.4335 1 4 4 8 65.12 5.15 1.4324 2 1 5 8 65.85 1.06 1.4183 1 6 1 8 66.04 4.12 1.4147 5 2 2 8 66.77 8.19 1.4010 4 3 3 8 67.42 1.31 1.3890 3 3 4 8 68.00 1.01 1.3786 2 2 5 8 68.02 4.75 1.3783 2 6 0 4 68.04 2.72 1.3779 3 5 2 8 68.26 3.23 1.3740 0 3 5 4 68.39 2.33 1.3717 0 6 2 4 69.27 1.84 1.3564 5 1 3 8 69.50 1.54 1.3525 1 6 2 8 70.51 1.28 1.3356 4 2 4 8 70.66 2.91 1.3331 6 1 0 4 70.74 1.07 1.3319 3 1 5 8 72.07 1.19 1.3105 5 2 3 8 72.52 4.61 1.3034 5 4 0 4 72.80 1.39 1.2991 2 6 2 8 72.99 3.67 1.2961 0 0 6 2 73.53 1.50 1.2881 3 6 0 4 73.54 1.26 1.2878 1 5 4 8 73.70 2.05 1.2855 5 4 1 8 74.00 4.20 1.2810 3 5 3 8 75.12 3.20 1.2647 4 3 4 8 75.41 1.24 1.2605 1 6 3 8 76.64 4.49 1.2433 5 3 3 8 77.19 3.27 1.2359 5 4 2 8 77.30 1.07 1.2343 2 0 6 4 77.40 3.65 1.2330 4 0 5 4 77.50 2.66 1.2316 5 1 4 8 78.05 2.77 1.2243 3 3 5 8 78.09 1.60 1.2239 6 2 2 8 78.61 4.49 1.2170 2 6 3 8 80.23 2.35 1.1964 6 0 3 4 80.67 1.91 1.1911 5 5 0 4 80.98 1.55 1.1873 4 2 5 8 81.35 6.35 1.1828 1 7 2 8 82.18 3.26 1.1729 1 3 6 8 82.55 2.62 1.1686 6 3 2 8 82.84 1.92 1.1652 0 5 5 4 83.47 1.72 1.1581 3 1 6 8 83.89 1.02 1.1533 1 5 5 8 84.29 4.41 1.1489 3 4 5 8 85.32 1.50 1.1376 2 3 6 8 85.53 2.85 1.1353 4 6 2 8 86.12 1.83 1.1291 3 2 6 8 87.01 1.92 1.1198 1 7 3 8 87.74 1.38 1.1124 5 1 5 8 88.76 1.81 1.1022 0 1 7 4 89.04 2.95 1.0995 0 8 0 2 89.05 1.21 1.0994 7 1 2 8 89.70 1.03 1.0931 3 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.