Sassolite Gajhede M, Larsen S, Rettrup S Acta Crystallographica B42 (1986) 545-552 Electron density of orthoboric acid determined by X-ray diffraction at 105 K and ab initio calculations Note: multipole refinement Locality: synthetic _database_code_amcsd 0009809 CELL PARAMETERS: 7.0187 7.0350 6.3472 92.490 101.460 119.760 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 262.901 Density (g/cm3): 1.562 MAX. ABS. INTENSITY / VOLUME**2: 6.580368652 RIR: 1.372 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.64 22.53 6.0517 -1 1 0 2 14.71 24.79 6.0214 0 1 0 2 15.03 28.24 5.8933 1 0 0 2 18.85 4.85 4.7077 0 -1 1 2 19.63 3.99 4.5231 -1 1 1 2 21.57 7.65 4.1205 1 -1 1 2 22.35 6.20 3.9776 0 1 1 2 25.92 1.09 3.4378 -2 1 0 2 26.05 1.34 3.4211 1 1 0 2 29.12 100.00 3.0667 0 0 2 2 29.22 7.29 3.0568 -1 0 2 2 29.67 1.62 3.0107 0 2 0 2 30.13 1.27 2.9663 -2 0 1 2 30.33 12.00 2.9466 2 0 0 2 30.42 1.67 2.9383 0 -1 2 2 30.82 8.42 2.9011 0 -2 1 2 31.45 2.71 2.8442 -1 1 2 2 31.74 8.41 2.8196 -2 2 1 2 33.98 2.79 2.6384 1 -1 2 2 34.24 7.39 2.6187 2 -2 1 2 34.98 2.80 2.5650 0 1 2 2 35.34 5.56 2.5401 0 2 1 2 36.53 7.53 2.4596 -2 0 2 2 37.05 1.01 2.4264 2 0 1 2 39.16 1.19 2.3003 -2 3 0 2 39.45 2.66 2.2840 -1 -2 1 2 39.59 2.28 2.2764 -3 1 1 2 40.08 7.06 2.2498 -3 2 1 2 40.43 6.51 2.2311 2 1 0 2 40.68 6.63 2.2177 1 -3 1 2 41.85 2.14 2.1587 -2 3 1 2 42.05 2.25 2.1490 2 -3 1 2 43.34 5.53 2.0875 -1 3 1 2 43.69 4.36 2.0720 -2 -1 2 2 44.93 4.06 2.0174 3 -2 1 2 45.12 1.15 2.0093 0 -3 1 2 45.91 1.41 1.9765 1 2 1 2 46.21 1.13 1.9644 3 0 0 2 46.22 1.26 1.9642 3 -1 1 2 47.94 2.01 1.8976 2 0 2 2 49.54 1.13 1.8402 0 -2 3 2 54.24 1.45 1.6912 -1 -3 1 2 54.90 1.37 1.6723 -4 3 1 2 55.28 1.82 1.6619 -3 2 3 2 56.87 1.63 1.6190 2 1 2 2 57.55 1.37 1.6016 1 -3 3 2 60.37 4.79 1.5333 0 0 4 2 60.58 1.09 1.5284 -2 0 4 2 63.68 1.09 1.4613 -1 3 3 2 82.14 1.04 1.1734 -3 -3 1 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.