Bieberite Kellersohn T, Delaplane R G, Olovsson I Zeitschrift fur Naturforschung B46 (1991) 1635-1640 Disorder of a trigonally planar coordinated water molecule in cobalt sulfate heptahydrate, CoSO4*7D2O _database_code_amcsd 0015843 CELL PARAMETERS: 14.0480 6.4941 10.9250 90.000 105.232 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 961.665 Density (g/cm3): 1.941 MAX. ABS. INTENSITY / VOLUME**2: 9.619026594 RIR: 1.613 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.06 8.27 6.7772 2 0 0 2 15.13 1.98 5.8566 1 1 0 4 16.03 6.86 5.5291 0 1 1 4 16.37 12.39 5.4164 -1 0 2 2 16.46 5.52 5.3857 -1 1 1 4 16.82 6.91 5.2706 0 0 2 2 18.14 100.00 4.8893 1 1 1 4 18.41 52.98 4.8191 -2 0 2 2 19.61 8.50 4.5270 1 0 2 2 22.10 10.16 4.0213 2 1 1 4 23.65 61.39 3.7618 -3 1 1 4 23.96 18.03 3.7144 2 0 2 2 26.30 5.07 3.3886 4 0 0 2 27.15 4.07 3.2839 3 1 1 4 27.47 23.33 3.2471 0 2 0 2 28.09 14.16 3.1763 -1 1 3 4 28.77 1.99 3.1032 0 2 1 4 28.85 6.49 3.0947 -2 1 3 4 28.89 1.35 3.0904 0 1 3 4 29.02 1.48 3.0771 -1 2 1 4 29.22 5.16 3.0564 3 0 2 2 29.74 6.45 3.0042 4 1 0 4 30.53 1.25 2.9283 2 2 0 4 30.63 4.01 2.9188 -4 1 2 4 31.06 1.23 2.8796 -3 1 3 4 32.14 6.82 2.7850 -1 2 2 4 32.37 3.93 2.7654 3 1 2 4 32.65 1.19 2.7423 2 2 1 4 32.85 11.82 2.7266 4 1 1 4 32.87 6.07 2.7244 -1 0 4 2 32.95 2.81 2.7187 -5 0 2 2 33.27 1.02 2.6928 -2 2 2 4 33.98 6.49 2.6385 1 2 2 4 34.00 4.31 2.6368 3 2 0 4 34.02 4.49 2.6353 0 0 4 2 34.46 7.56 2.6023 -4 1 3 4 34.61 2.30 2.5920 -3 0 4 2 35.04 1.83 2.5607 4 0 2 2 35.66 1.55 2.5176 -3 2 2 4 35.81 1.61 2.5078 -5 1 2 4 35.90 2.08 2.5017 5 1 0 4 36.37 3.38 2.4703 3 2 1 4 36.40 6.23 2.4682 1 0 4 2 36.76 1.25 2.4447 2 2 2 4 37.32 2.81 2.4095 -4 0 4 2 37.36 3.00 2.4073 -3 1 4 4 37.72 4.02 2.3847 0 2 3 4 37.76 1.15 2.3821 -4 2 1 4 38.39 2.29 2.3445 4 2 0 4 38.80 1.51 2.3211 -5 1 3 4 38.97 3.56 2.3114 5 1 1 4 39.04 3.90 2.3075 -6 0 2 2 39.11 3.27 2.3032 -4 2 2 4 39.46 1.08 2.2838 -3 2 3 4 39.83 1.34 2.2635 2 0 4 2 39.91 1.11 2.2591 6 0 0 2 41.53 2.60 2.1743 -6 1 2 4 42.82 1.65 2.1121 -1 3 1 4 43.51 1.08 2.0798 -2 2 4 4 43.55 3.89 2.0783 1 3 1 4 43.96 3.18 2.0595 -1 1 5 4 44.27 1.20 2.0462 0 2 4 4 44.62 2.58 2.0306 -3 1 5 4 45.09 4.93 2.0107 4 2 2 4 45.10 2.84 2.0101 -1 3 2 4 45.22 2.57 2.0052 0 1 5 4 45.50 2.09 1.9933 -6 0 4 2 46.33 11.31 1.9598 -3 3 1 4 46.96 1.85 1.9350 -4 2 4 4 47.46 4.37 1.9155 1 1 5 4 47.57 3.15 1.9115 -7 1 1 4 48.37 3.99 1.8817 3 3 1 4 48.39 3.98 1.8809 -6 2 2 4 48.95 1.50 1.8608 -1 3 3 4 49.05 1.44 1.8572 4 0 4 2 49.06 5.09 1.8569 2 2 4 4 49.13 2.54 1.8544 6 2 0 4 49.31 2.86 1.8479 -5 1 5 4 49.43 3.00 1.8437 -7 1 3 4 49.59 3.13 1.8382 5 1 3 4 50.10 1.88 1.8208 -2 0 6 2 50.55 2.11 1.8055 -3 0 6 2 50.86 1.68 1.7952 -3 3 3 4 50.91 1.53 1.7935 1 3 3 4 51.95 1.19 1.7601 -4 0 6 2 52.07 1.23 1.7563 4 3 1 4 52.16 3.30 1.7537 7 1 1 4 53.98 3.29 1.6988 -6 2 4 4 54.13 1.74 1.6943 8 0 0 2 54.51 3.26 1.6835 3 1 5 4 55.23 1.10 1.6631 7 2 0 4 56.37 1.27 1.6323 -5 3 3 4 56.49 1.45 1.6289 5 3 1 4 56.70 1.97 1.6235 0 4 0 2 57.29 1.97 1.6081 -7 1 5 4 58.08 1.67 1.5882 -2 2 6 4 59.76 1.38 1.5474 -4 2 6 4 59.86 3.69 1.5452 0 2 6 4 60.14 1.59 1.5386 -2 4 2 4 60.38 1.09 1.5331 -1 3 5 4 61.23 2.53 1.5137 -3 1 7 4 61.76 1.49 1.5021 8 2 0 4 62.00 2.41 1.4969 -9 1 3 4 63.54 1.74 1.4642 4 4 0 4 63.77 1.12 1.4594 -8 2 4 4 64.99 1.02 1.4350 5 3 3 4 65.76 1.42 1.4201 1 1 7 4 68.87 1.09 1.3633 8 2 2 4 69.20 1.07 1.3576 3 3 5 4 69.86 1.19 1.3464 -4 4 4 4 70.99 1.32 1.3278 -6 4 2 4 72.92 1.68 1.2973 4 2 6 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.