Epsomite Baur W H Acta Crystallographica 17 (1964) 1361-1369 On the crystal chemistry of salt hydrates. IV. The refinement of the crystal structure of MgSO4*7H2O (epsomite) Note: Mg z-coordinate altered in order to reproduce Mg-O bond lengths Locality: synthetic _database_code_amcsd 0009290 CELL PARAMETERS: 11.8680 11.9960 6.8570 90.000 90.000 90.000 SPACE GROUP: P2_12_12_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 976.221 Density (g/cm3): 1.677 MAX. ABS. INTENSITY / VOLUME**2: 4.330403551 RIR: 0.841 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.77 14.97 5.9980 0 2 0 2 14.88 20.26 5.9531 0 1 1 4 14.92 3.85 5.9373 1 0 1 4 14.93 3.98 5.9340 2 0 0 2 16.56 27.97 5.3532 1 2 0 4 16.66 17.30 5.3212 1 1 1 4 19.66 2.57 4.5146 0 2 1 4 19.79 25.59 4.4871 2 0 1 4 21.05 100.00 4.2196 1 2 1 4 21.06 26.10 4.2184 2 2 0 4 21.14 90.49 4.2027 2 1 1 4 23.48 12.75 3.7894 1 3 0 4 23.68 9.58 3.7570 3 1 0 4 25.79 14.73 3.4542 0 3 1 4 25.99 15.23 3.4285 0 0 2 2 26.00 2.58 3.4266 3 0 1 4 26.88 2.74 3.3166 1 3 1 4 27.00 2.12 3.3024 3 2 0 4 27.06 1.11 3.2948 3 1 1 4 28.09 8.30 3.1763 1 1 2 4 29.79 3.21 2.9990 0 4 0 2 29.93 6.43 2.9853 2 3 1 4 30.02 1.00 2.9765 0 2 2 4 30.03 13.82 2.9753 3 2 1 4 30.10 11.01 2.9686 2 0 2 4 30.97 8.24 2.8871 1 2 2 4 31.03 9.01 2.8817 2 1 2 4 31.05 26.96 2.8802 4 1 0 4 31.82 2.61 2.8123 3 3 0 4 32.59 26.41 2.7477 0 4 1 4 32.89 2.28 2.7230 4 0 1 4 33.48 34.04 2.6769 1 4 1 4 33.69 29.80 2.6606 2 2 2 4 33.70 17.27 2.6594 4 2 0 4 33.75 2.35 2.6555 4 1 1 4 34.62 2.14 2.5909 3 0 2 4 36.02 2.23 2.4934 2 4 1 4 36.23 3.22 2.4795 4 2 1 4 37.64 3.34 2.3899 3 4 0 4 37.74 1.99 2.3836 2 3 2 4 37.82 5.03 2.3785 3 2 2 4 38.27 1.32 2.3516 1 5 0 4 39.94 6.08 2.2573 0 4 2 4 39.95 2.52 2.2567 3 4 1 4 40.06 1.13 2.2507 4 3 1 4 40.56 2.91 2.2243 2 5 0 4 40.69 2.49 2.2175 1 4 2 4 40.91 2.20 2.2061 1 1 3 4 40.92 1.86 2.2053 4 1 2 4 40.93 15.24 2.2048 5 1 1 4 41.53 2.02 2.1744 3 3 2 4 42.32 8.26 2.1358 0 2 3 4 42.74 2.48 2.1157 2 5 1 4 42.86 2.26 2.1098 2 4 2 4 43.03 10.18 2.1021 1 2 3 4 43.05 3.59 2.1009 5 2 1 4 43.07 2.47 2.1000 2 1 3 4 44.38 3.36 2.0411 5 3 0 4 44.97 2.23 2.0160 4 4 1 4 45.12 3.67 2.0096 2 2 3 4 45.72 1.80 1.9844 0 3 3 4 46.31 1.10 1.9606 3 4 2 4 46.41 6.94 1.9566 4 3 2 4 46.42 1.03 1.9563 5 3 1 4 46.51 1.20 1.9527 3 1 3 4 46.85 2.79 1.9393 1 5 2 4 47.18 1.39 1.9262 5 1 2 4 47.86 5.29 1.9005 6 0 1 4 48.02 2.81 1.8948 1 6 1 4 48.02 2.76 1.8947 2 6 0 4 48.36 5.28 1.8819 2 3 3 4 48.50 2.04 1.8771 6 1 1 4 48.80 2.87 1.8660 2 5 2 4 48.94 3.52 1.8612 5 4 0 4 49.94 1.57 1.8262 2 6 1 4 50.37 2.83 1.8117 6 2 1 4 50.71 4.04 1.8001 4 5 1 4 50.81 3.53 1.7969 1 4 3 4 50.83 1.44 1.7962 5 4 1 4 51.01 2.20 1.7904 4 1 3 4 51.94 1.36 1.7604 3 5 2 4 52.15 2.63 1.7538 5 3 2 4 52.66 1.73 1.7381 2 4 3 4 53.03 6.30 1.7269 3 6 1 4 53.45 1.55 1.7142 0 0 4 2 53.48 2.92 1.7133 6 0 2 4 53.62 2.55 1.7091 1 6 2 4 54.05 1.30 1.6966 1 0 4 4 54.07 1.82 1.6961 6 1 2 4 55.25 1.89 1.6626 0 7 1 4 55.41 3.92 1.6583 2 6 2 4 55.64 3.62 1.6518 3 4 3 4 55.77 1.10 1.6483 0 2 4 4 56.39 3.52 1.6316 2 1 4 4 56.40 3.92 1.6315 7 2 0 4 58.08 1.55 1.5881 2 2 4 4 59.15 1.53 1.5619 1 3 4 4 60.87 1.11 1.5220 7 3 1 4 61.22 1.18 1.5139 5 5 2 4 61.88 1.16 1.4995 0 8 0 2 63.11 4.69 1.4732 7 2 2 4 64.59 1.11 1.4429 7 4 1 4 66.47 1.39 1.4065 3 6 3 4 67.63 1.49 1.3853 1 5 4 4 67.90 1.01 1.3805 5 1 4 4 68.28 1.48 1.3737 3 8 1 4 68.96 1.71 1.3618 5 7 1 4 68.96 1.46 1.3617 7 0 3 4 69.22 2.02 1.3572 7 5 1 4 70.34 1.01 1.3384 2 8 2 4 70.94 1.34 1.3285 1 2 5 4 70.97 1.14 1.3280 2 1 5 4 71.88 1.18 1.3135 4 8 1 4 75.38 1.44 1.2609 5 4 4 4 76.56 1.07 1.2444 8 0 3 4 76.86 1.67 1.2404 1 4 5 4 78.50 1.11 1.2184 8 2 3 4 81.94 1.23 1.1758 1 10 1 4 85.23 1.26 1.1386 9 4 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.