Epsomite Fortes A D, Wood I G, Alfredsson M, Vocadlo L, Knight K S European Journal of Mineralogy 18 (2006) 449-462 The thermoelastic properties of MgSO4*7D2O (epsomite) from powder neutron diffraction and ab initio calculation Locality: synthetic Sample: T = 2 K _database_code_amcsd 0007157 CELL PARAMETERS: 11.8971 11.9085 6.7873 90.000 90.000 90.000 SPACE GROUP: P2_12_12_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 961.604 Density (g/cm3): 1.702 MAX. ABS. INTENSITY / VOLUME**2: 4.845930261 RIR: 0.927 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.88 11.49 5.9543 0 2 0 2 14.89 3.75 5.9486 2 0 0 2 15.02 17.28 5.8968 0 1 1 4 15.03 2.59 5.8954 1 0 1 4 16.65 24.19 5.3246 1 2 0 4 16.78 14.69 5.2834 1 1 1 4 19.84 1.63 4.4760 0 2 1 4 19.85 26.23 4.4736 2 0 1 4 21.11 23.65 4.2083 2 2 0 4 21.21 100.00 4.1893 1 2 1 4 21.22 83.89 4.1878 2 1 1 4 23.63 11.07 3.7654 1 3 0 4 23.65 9.23 3.7626 3 1 0 4 26.00 11.15 3.4265 0 3 1 4 26.02 1.84 3.4241 3 0 1 4 26.26 14.11 3.3936 0 0 2 2 27.01 2.44 3.3006 3 2 0 4 27.08 2.23 3.2927 1 3 1 4 28.36 8.24 3.1474 1 1 2 4 30.02 1.66 2.9771 0 4 0 2 30.10 7.05 2.9692 2 3 1 4 30.11 12.19 2.9683 3 2 1 4 30.31 1.53 2.9484 0 2 2 4 30.32 10.44 2.9477 2 0 2 4 30.99 27.88 2.8856 4 1 0 4 31.25 7.07 2.8618 1 2 2 4 31.26 8.92 2.8613 2 1 2 4 31.90 3.16 2.8055 3 3 0 4 32.85 28.85 2.7264 0 4 1 4 32.88 3.45 2.7242 4 0 1 4 33.68 14.02 2.6608 4 2 0 4 33.73 31.25 2.6575 1 4 1 4 33.75 3.78 2.6556 4 1 1 4 33.93 27.43 2.6417 2 2 2 4 34.78 1.12 2.5795 0 3 2 4 34.79 1.11 2.5784 3 0 2 4 36.24 1.58 2.4785 2 4 1 4 36.26 2.73 2.4772 4 2 1 4 37.79 3.15 2.3809 3 4 0 4 37.80 1.05 2.3802 4 3 0 4 38.02 2.54 2.3665 2 3 2 4 38.03 4.94 2.3661 3 2 2 4 38.55 1.55 2.3354 1 5 0 4 40.14 3.32 2.2467 3 4 1 4 40.15 2.22 2.2461 4 3 1 4 40.30 6.60 2.2380 0 4 2 4 40.81 3.53 2.2111 2 5 0 4 40.90 16.14 2.2066 5 1 1 4 41.04 2.40 2.1994 1 4 2 4 41.06 3.14 2.1983 4 1 2 4 41.32 2.17 2.1849 1 1 3 4 41.77 1.92 2.1623 3 3 2 4 42.76 8.48 2.1149 0 2 3 4 43.02 2.95 2.1023 2 5 1 4 43.05 2.67 2.1010 5 2 1 4 43.19 2.89 2.0947 2 4 2 4 43.46 11.59 2.0823 1 2 3 4 43.46 2.54 2.0821 2 1 3 4 44.39 4.34 2.0409 5 3 0 4 45.11 2.59 2.0098 4 4 1 4 45.52 4.39 1.9927 2 2 3 4 46.18 1.73 1.9656 0 3 3 4 46.44 1.10 1.9552 3 5 1 4 46.46 1.43 1.9544 5 3 1 4 46.61 6.53 1.9487 4 3 2 4 46.86 1.02 1.9389 3 1 3 4 47.25 2.25 1.9238 1 5 2 4 47.28 1.38 1.9227 5 1 2 4 47.79 3.36 1.9033 6 0 1 4 48.34 3.50 1.8827 2 6 0 4 48.39 2.93 1.8810 1 6 1 4 48.43 3.47 1.8794 6 1 1 4 48.80 6.02 1.8663 2 3 3 4 49.01 3.50 1.8587 5 4 0 4 49.18 3.48 1.8526 2 5 2 4 50.29 2.15 1.8142 2 6 1 4 50.33 3.74 1.8129 6 2 1 4 50.93 4.95 1.7931 4 5 1 4 50.94 1.45 1.7927 5 4 1 4 51.07 1.61 1.7883 4 4 2 4 51.30 2.70 1.7810 1 4 3 4 51.32 2.24 1.7804 4 1 3 4 52.29 1.83 1.7495 3 5 2 4 52.31 2.97 1.7490 5 3 2 4 53.12 1.60 1.7240 2 4 3 4 53.35 5.79 1.7171 3 6 1 4 53.38 1.05 1.7162 6 3 1 4 53.52 2.22 1.7120 6 0 2 4 54.04 1.71 1.6968 0 0 4 2 54.08 2.39 1.6958 1 6 2 4 54.12 2.90 1.6946 6 1 2 4 54.64 1.35 1.6798 1 0 4 4 55.70 1.11 1.6503 6 4 0 4 55.70 2.33 1.6502 0 7 1 4 55.84 4.77 1.6463 2 6 2 4 56.08 4.09 1.6401 3 4 3 4 56.29 4.69 1.6343 7 2 0 4 56.38 1.36 1.6319 0 2 4 4 56.67 1.68 1.6243 5 1 3 4 56.96 3.72 1.6166 2 1 4 4 58.66 1.61 1.5737 2 2 4 4 59.78 1.72 1.5470 1 3 4 4 60.84 1.75 1.5226 7 3 1 4 61.49 1.55 1.5080 5 5 2 4 62.38 1.74 1.4886 0 8 0 2 63.10 1.06 1.4734 2 7 2 4 63.14 5.16 1.4725 7 2 2 4 64.53 1.05 1.4440 2 8 0 4 64.57 1.01 1.4433 1 8 1 4 67.02 1.91 1.3964 3 6 3 4 68.33 1.84 1.3727 1 5 4 4 68.36 1.29 1.3723 5 1 4 4 68.77 1.92 1.3651 3 8 1 4 69.13 1.67 1.3589 7 0 3 4 69.30 2.35 1.3560 5 7 1 4 69.32 2.59 1.3556 7 5 1 4 71.17 1.15 1.3248 7 2 3 4 71.76 1.93 1.3154 1 2 5 4 71.76 1.22 1.3153 2 1 5 4 72.34 1.62 1.3063 4 8 1 4 73.42 1.01 1.2897 0 6 4 4 75.41 1.14 1.2604 2 6 4 4 75.93 1.77 1.2532 5 4 4 4 76.68 1.64 1.2427 8 0 3 4 76.94 1.27 1.2392 4 8 2 4 77.73 2.37 1.2285 1 4 5 4 77.91 1.14 1.2262 1 9 2 4 78.65 1.54 1.2165 8 2 3 4 79.30 1.38 1.2082 9 4 0 4 81.31 1.36 1.1833 4 6 4 4 81.56 1.35 1.1803 7 5 3 4 81.65 1.11 1.1793 3 4 5 4 82.24 1.22 1.1722 8 6 1 4 82.67 2.09 1.1673 1 10 1 4 85.16 1.13 1.1394 9 5 1 4 85.27 2.31 1.1382 9 4 2 4 86.98 1.28 1.1201 6 0 5 4 87.21 1.48 1.1178 10 1 2 4 87.62 1.18 1.1136 7 4 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.