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 = 25 C _database_code_amcsd 0010946 CELL PARAMETERS: 8.0370 8.7570 7.7218 90.000 90.000 90.000 SPACE GROUP: Pnam X-RAY WAVELENGTH: 1.541838 Cell Volume: 543.460 Density (g/cm3): 3.005 MAX. ABS. INTENSITY / VOLUME**2: 5.109647156 RIR: 0.554 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.30 2.77 5.7917 0 1 1 4 20.28 3.56 4.3785 0 2 0 2 22.12 7.91 4.0185 2 0 0 2 23.04 57.70 3.8609 0 0 2 2 23.13 2.45 3.8449 1 2 0 4 24.37 12.02 3.6523 2 1 0 4 24.98 100.00 3.5647 2 0 1 4 25.89 80.97 3.4419 1 2 1 8 27.01 36.98 3.3016 2 1 1 8 27.58 70.98 3.2341 1 1 2 8 30.19 88.36 2.9606 2 2 0 4 30.88 32.72 2.8959 0 2 2 4 32.64 60.23 2.7436 1 3 0 4 32.80 44.65 2.7304 0 3 1 4 32.87 3.32 2.7244 1 2 2 8 33.78 64.37 2.6532 2 1 2 8 34.70 1.08 2.5853 1 3 1 8 35.03 12.63 2.5618 3 1 0 4 36.38 13.08 2.4695 0 1 3 4 36.97 21.63 2.4315 3 1 1 8 38.12 12.40 2.3606 1 1 3 8 38.31 21.52 2.3494 2 2 2 8 39.43 2.20 2.2852 3 2 0 4 40.33 1.08 2.2365 1 3 2 8 41.24 11.05 2.1892 0 4 0 2 41.67 19.58 2.1674 2 0 3 4 42.25 23.83 2.1389 1 2 3 8 42.34 24.95 2.1346 3 1 2 8 42.81 5.88 2.1123 1 4 0 4 42.99 3.54 2.1040 2 1 3 8 44.47 2.70 2.0374 1 4 1 8 45.00 27.61 2.0147 2 3 2 8 45.12 5.70 2.0092 4 0 0 2 45.98 11.37 1.9737 3 3 0 4 46.16 11.52 1.9665 3 2 2 8 46.71 8.14 1.9445 4 0 1 4 46.77 29.78 1.9425 2 2 3 8 47.07 6.71 1.9306 0 3 3 4 47.07 22.09 1.9304 0 0 4 2 47.55 4.50 1.9123 3 3 1 8 47.92 9.63 1.8983 4 1 1 8 48.50 2.17 1.8772 1 3 3 8 48.82 1.91 1.8655 2 4 1 8 49.67 3.39 1.8354 1 1 4 8 50.25 9.61 1.8157 3 1 3 8 51.75 4.48 1.7664 0 2 4 4 52.04 5.07 1.7574 3 3 2 8 52.39 6.70 1.7465 4 1 2 8 53.08 5.41 1.7252 1 2 4 8 53.23 1.70 1.7209 2 4 2 8 53.55 29.92 1.7112 1 5 0 4 53.63 15.92 1.7089 3 2 3 8 53.66 8.97 1.7080 0 5 1 4 53.71 1.54 1.7067 2 1 4 8 54.10 1.11 1.6952 3 4 0 4 54.96 2.07 1.6707 1 5 1 8 55.50 16.34 1.6558 3 4 1 8 55.52 10.46 1.6551 4 3 0 4 55.68 6.99 1.6508 4 2 2 8 56.35 8.07 1.6328 1 4 3 8 56.90 2.34 1.6183 4 3 1 8 56.95 2.20 1.6171 2 2 4 8 57.39 1.21 1.6055 2 5 0 4 58.25 3.07 1.5838 4 0 3 4 58.37 5.58 1.5810 5 1 0 4 58.97 8.98 1.5663 3 3 3 8 59.05 1.86 1.5645 1 5 2 8 59.29 1.30 1.5585 4 1 3 8 59.56 14.10 1.5522 3 4 2 8 59.70 1.77 1.5489 5 1 1 8 60.00 2.42 1.5417 3 1 4 8 60.90 1.02 1.5212 4 3 2 8 60.91 2.88 1.5209 0 1 5 4 61.45 1.30 1.5089 5 2 0 4 62.34 13.38 1.4894 4 2 3 8 62.77 1.17 1.4803 4 4 0 4 64.34 1.73 1.4479 0 4 4 4 64.66 15.33 1.4416 2 0 5 4 64.73 9.68 1.4402 3 5 1 8 64.94 1.76 1.4360 1 6 0 4 65.09 6.28 1.4331 1 2 5 8 65.50 3.26 1.4250 1 4 4 8 65.64 7.10 1.4224 2 1 5 8 66.19 1.20 1.4118 1 6 1 8 66.53 6.01 1.4054 5 2 2 8 67.25 13.43 1.3921 4 3 3 8 67.26 1.15 1.3921 4 0 4 4 67.92 1.79 1.3801 3 3 4 8 68.38 6.38 1.3718 2 6 0 4 68.46 4.20 1.3705 3 5 2 8 68.53 1.05 1.3693 2 2 5 8 68.76 3.00 1.3652 0 6 2 4 68.77 4.43 1.3651 0 3 5 4 69.82 1.96 1.3472 5 1 3 8 69.89 2.02 1.3459 1 6 2 8 71.06 2.28 1.3266 4 2 4 8 71.21 4.29 1.3241 6 1 0 4 71.31 1.72 1.3226 3 1 5 8 71.45 1.41 1.3202 4 5 0 4 71.48 1.69 1.3198 6 0 1 4 72.63 2.17 1.3017 5 2 3 8 73.03 6.75 1.2957 5 4 0 4 73.22 1.74 1.2927 2 6 2 8 73.60 5.06 1.2870 0 0 6 2 73.96 1.89 1.2816 3 6 0 4 74.03 1.72 1.2805 1 5 4 8 74.10 1.04 1.2796 3 2 5 8 74.22 3.19 1.2778 5 4 1 8 74.49 5.20 1.2738 3 5 3 8 75.19 1.39 1.2636 6 2 1 8 75.69 4.44 1.2565 4 3 4 8 75.87 1.49 1.2540 1 6 3 8 77.23 5.68 1.2353 5 3 3 8 77.75 4.41 1.2283 5 4 2 8 77.95 1.41 1.2256 2 0 6 4 78.04 4.60 1.2245 4 0 5 4 78.14 4.39 1.2231 5 1 4 8 78.67 3.15 1.2163 3 3 5 8 78.71 1.67 1.2157 6 2 2 8 78.95 1.27 1.2127 4 1 5 8 79.11 6.87 1.2106 2 6 3 8 79.63 1.14 1.2040 2 4 5 8 80.90 3.26 1.1882 6 0 3 4 81.23 2.73 1.1842 5 5 0 4 81.65 1.76 1.1792 4 2 5 8 81.82 10.38 1.1773 1 7 2 8 82.85 4.56 1.1652 1 3 6 8 82.93 1.32 1.1642 0 6 4 4 83.21 4.32 1.1611 6 3 2 8 83.45 3.48 1.1583 0 5 5 4 84.19 3.40 1.1500 3 1 6 8 84.51 1.68 1.1465 1 5 5 8 84.95 7.51 1.1416 3 4 5 8 85.25 1.40 1.1384 7 1 0 4 86.03 2.38 1.1301 2 3 6 8 86.11 4.90 1.1292 4 6 2 8 86.39 1.58 1.1262 7 1 1 8 86.86 2.47 1.1214 3 2 6 8 87.55 3.06 1.1143 1 7 3 8 88.51 2.22 1.1047 5 1 5 8 89.54 4.65 1.0946 0 8 0 2 89.56 2.90 1.0945 0 1 7 4 89.82 1.12 1.0919 7 1 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.