Melanterite Anderson J L, Peterson R C, Swainson I P The Canadian Mineralogist 45 (2007) 457-469 The atomic structure and hydrogen bonding of deuterated melanterite, FeSO4*7D2O Locality: synthetic _database_code_amcsd 0006145 CELL PARAMETERS: 14.0774 6.5039 11.0506 90.000 105.604 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 974.481 Density (g/cm3): 1.889 MAX. ABS. INTENSITY / VOLUME**2: 9.138897855 RIR: 1.575 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.06 3.98 6.7793 2 0 0 2 15.11 1.32 5.8641 1 1 0 4 15.97 6.33 5.5497 0 1 1 4 16.17 12.16 5.4804 -1 0 2 2 16.39 3.87 5.4090 -1 1 1 4 16.66 5.39 5.3217 0 0 2 2 18.10 100.00 4.9008 1 1 1 4 18.22 53.59 4.8704 -2 0 2 2 19.49 8.94 4.5546 1 0 2 2 22.08 10.02 4.0264 2 1 1 4 23.58 59.93 3.7732 -3 1 1 4 23.87 18.91 3.7273 2 0 2 2 26.29 5.08 3.3896 4 0 0 2 27.14 3.64 3.2860 3 1 1 4 27.43 23.01 3.2520 0 2 0 2 27.84 15.30 3.2051 -1 1 3 4 28.58 7.19 3.1238 -2 1 3 4 28.66 2.19 3.1145 0 1 3 4 28.70 2.19 3.1100 0 2 1 4 28.95 1.55 3.0846 -1 2 1 4 29.16 5.94 3.0623 3 0 2 2 29.72 7.17 3.0059 4 1 0 4 30.47 4.54 2.9341 -4 1 2 4 30.78 2.19 2.9050 -3 1 3 4 32.00 6.95 2.7967 -1 2 2 4 32.31 4.49 2.7706 3 1 2 4 32.50 6.83 2.7548 -1 0 4 2 32.61 1.11 2.7461 2 2 1 4 32.79 3.21 2.7316 -5 0 2 2 32.84 12.20 2.7276 4 1 1 4 33.12 1.29 2.7045 -2 2 2 4 33.68 4.50 2.6608 0 0 4 2 33.87 6.88 2.6466 1 2 2 4 33.96 5.03 2.6397 3 2 0 4 34.19 8.61 2.6226 -4 1 3 4 34.20 1.82 2.6219 -3 0 4 2 35.00 2.17 2.5635 4 0 2 2 35.51 1.72 2.5281 -3 2 2 4 35.65 1.62 2.5185 -5 1 2 4 35.88 2.10 2.5029 5 1 0 4 36.11 6.15 2.4876 1 0 4 2 36.33 3.39 2.4729 3 2 1 4 36.67 1.43 2.4504 2 2 2 4 36.91 3.17 2.4352 -4 0 4 2 36.97 2.70 2.4318 -3 1 4 4 37.52 4.28 2.3972 0 2 3 4 38.36 2.72 2.3466 4 2 0 4 38.53 1.55 2.3366 -5 1 3 4 38.80 1.33 2.3212 3 1 3 4 38.88 3.65 2.3162 -6 0 2 2 38.96 3.15 2.3120 -4 2 2 4 38.96 4.32 2.3119 5 1 1 4 39.21 1.11 2.2977 -3 2 3 4 39.57 1.80 2.2773 2 0 4 2 39.89 1.36 2.2598 6 0 0 2 41.38 2.30 2.1820 -6 1 2 4 42.73 1.54 2.1162 -1 3 1 4 43.17 1.14 2.0955 -2 2 4 4 43.47 4.52 2.0817 1 3 1 4 43.51 3.61 2.0800 -1 1 5 4 43.97 1.30 2.0593 0 2 4 4 44.12 2.86 2.0525 -3 1 5 4 44.80 2.69 2.0231 0 1 5 4 44.97 2.98 2.0160 -1 3 2 4 45.03 5.36 2.0132 4 2 2 4 45.11 2.88 2.0097 -6 0 4 2 46.23 11.55 1.9636 -3 3 1 4 46.59 2.37 1.9492 -4 2 4 4 47.08 4.52 1.9302 1 1 5 4 47.50 3.88 1.9142 -7 1 1 4 47.77 1.07 1.9039 6 0 2 2 48.24 3.97 1.8866 -6 2 2 4 48.31 4.46 1.8840 3 3 1 4 48.74 1.64 1.8684 -1 3 3 4 48.80 3.20 1.8662 -5 1 5 4 48.82 5.91 1.8654 2 2 4 4 48.87 1.38 1.8636 4 0 4 2 49.09 2.62 1.8557 6 2 0 4 49.18 2.99 1.8527 -7 1 3 4 49.49 1.89 1.8417 -2 0 6 2 49.51 3.72 1.8411 5 1 3 4 49.92 2.39 1.8268 -3 0 6 2 50.25 1.08 1.8156 2 1 5 4 50.63 1.96 1.8030 -3 3 3 4 50.73 1.80 1.7994 1 3 3 4 51.31 1.66 1.7807 -4 0 6 2 52.02 1.43 1.7581 4 3 1 4 52.15 3.62 1.7538 7 1 1 4 53.61 4.15 1.7096 -6 2 4 4 54.11 2.19 1.6948 8 0 0 2 54.20 3.57 1.6922 3 1 5 4 56.12 1.41 1.6389 -5 3 3 4 56.44 1.70 1.6303 5 3 1 4 56.61 2.31 1.6260 0 4 0 2 56.78 2.02 1.6214 -7 1 5 4 57.51 1.81 1.6026 -2 2 6 4 59.15 1.87 1.5619 -4 2 6 4 59.35 3.93 1.5573 0 2 6 4 59.97 1.45 1.5426 -1 3 5 4 59.98 1.92 1.5423 -2 4 2 4 60.49 2.90 1.5306 -3 1 7 4 61.72 2.16 1.5030 8 2 0 4 61.75 2.44 1.5024 -9 1 3 4 62.30 1.15 1.4903 2 4 2 4 63.40 1.25 1.4670 -8 2 4 4 63.45 2.25 1.4660 4 4 0 4 64.88 1.31 1.4372 5 3 3 4 65.15 1.90 1.4319 1 1 7 4 65.64 1.20 1.4223 4 0 6 2 68.84 1.20 1.3638 8 2 2 4 68.89 1.38 1.3629 3 3 5 4 69.51 1.35 1.3522 -4 4 4 4 70.80 1.50 1.3308 -6 4 2 4 72.54 2.28 1.3031 4 2 6 4 73.28 1.37 1.2918 -10 2 2 4 74.86 1.23 1.2683 -2 2 8 4 75.99 1.13 1.2523 -3 5 1 4 78.70 1.01 1.2159 -6 2 8 4 78.73 1.35 1.2155 1 3 7 4 80.81 1.28 1.1894 -5 1 9 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.