Vanthoffite Balic-Zunic T, Pamato M G, Nestola F Acta Crystallographica E76 (2020) 785-789 Redetermination and new description of the crystal structure of vanthoffite, Na6Mg(SO4)4 Locality: Surtsey, Iceland _database_code_amcsd 0021237 CELL PARAMETERS: 9.7761 9.1998 8.2040 90.000 113.518 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 676.563 Density (g/cm3): 2.682 MAX. ABS. INTENSITY / VOLUME**2: 5.048358095 RIR: 0.613 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.87 9.95 8.9640 1 0 0 2 15.21 15.12 5.8235 0 1 1 4 15.37 1.76 5.7642 -1 1 1 4 19.30 9.40 4.5999 0 2 0 2 19.81 1.78 4.4820 2 0 0 2 20.95 21.74 4.2411 -2 1 1 4 21.67 9.50 4.1010 -1 0 2 2 22.06 88.33 4.0293 2 1 0 4 22.66 39.67 3.9244 0 2 1 4 22.77 19.57 3.9061 -1 2 1 4 23.65 11.60 3.7613 0 0 2 2 23.75 5.16 3.7457 -1 1 2 4 24.07 1.09 3.6980 -2 0 2 2 25.59 11.26 3.4815 0 1 2 4 25.97 100.00 3.4312 -2 1 2 4 26.62 6.15 3.3480 1 2 1 4 26.90 2.82 3.3142 -2 2 1 4 28.64 75.67 3.1168 2 1 1 4 29.18 45.82 3.0599 1 0 2 2 29.86 46.73 2.9924 -3 0 2 2 29.90 3.73 2.9880 3 0 0 2 30.71 58.31 2.9118 0 2 2 4 30.82 17.29 2.9015 1 3 0 4 31.44 26.79 2.8456 -3 1 2 4 31.48 3.37 2.8419 3 1 0 4 31.50 7.44 2.8397 0 3 1 4 31.58 30.28 2.8328 -1 3 1 4 33.33 8.92 2.6882 2 2 1 4 34.48 2.05 2.6012 -1 1 3 4 34.54 3.21 2.5968 1 3 1 4 34.70 3.01 2.5852 -2 1 3 4 34.76 37.57 2.5810 -2 3 1 4 35.23 10.95 2.5477 1 2 2 4 35.47 1.16 2.5309 2 3 0 4 35.84 1.28 2.5058 3 2 0 4 36.59 29.96 2.4559 -1 3 2 4 37.64 1.25 2.3896 -4 0 2 2 37.85 8.09 2.3769 3 1 1 4 38.12 2.58 2.3606 -2 3 2 4 38.14 6.67 2.3595 2 1 2 4 38.54 2.42 2.3361 -1 2 3 4 38.74 6.28 2.3245 -2 2 3 4 38.94 7.98 2.3129 -4 1 2 4 39.17 10.18 2.2999 0 4 0 2 40.07 12.08 2.2504 2 3 1 4 40.24 8.69 2.2410 4 0 0 2 40.99 1.69 2.2016 0 2 3 4 41.04 1.68 2.1994 0 4 1 4 41.10 3.97 2.1962 -1 4 1 4 41.47 2.77 2.1773 4 1 0 4 41.56 6.96 2.1729 -3 2 3 4 41.63 9.40 2.1696 3 2 1 4 41.90 3.64 2.1563 2 2 2 4 42.06 5.93 2.1481 -4 2 1 4 42.64 4.16 2.1205 -4 2 2 4 43.50 1.70 2.0806 1 4 1 4 43.68 4.81 2.0725 -2 4 1 4 44.26 2.26 2.0463 2 4 0 4 45.00 1.77 2.0146 4 2 0 4 45.20 5.38 2.0060 -1 4 2 4 45.31 1.95 2.0014 -2 1 4 4 45.75 2.33 1.9832 1 2 3 4 46.26 5.30 1.9624 -1 1 4 4 46.27 3.66 1.9622 0 4 2 4 46.50 1.88 1.9530 -2 4 2 4 46.61 2.92 1.9485 -4 2 3 4 46.72 1.70 1.9443 -3 1 4 4 46.81 4.25 1.9407 3 1 2 4 47.37 3.37 1.9191 3 3 1 4 47.61 2.67 1.9099 2 3 2 4 47.72 1.07 1.9060 -5 1 2 4 47.78 1.50 1.9037 4 1 1 4 48.28 12.55 1.8850 -5 1 1 4 48.28 2.74 1.8849 -4 3 2 4 48.61 3.41 1.8728 -2 2 4 4 49.21 6.39 1.8517 2 1 3 4 49.28 2.36 1.8490 -4 0 4 2 49.47 5.20 1.8425 0 1 4 4 49.52 1.32 1.8408 -1 2 4 4 49.58 10.95 1.8385 1 4 2 4 49.95 24.43 1.8258 -3 2 4 4 50.04 7.66 1.8228 3 2 2 4 50.05 5.82 1.8226 3 4 0 4 50.34 2.24 1.8128 -4 1 4 4 50.65 3.28 1.8024 1 5 0 4 50.94 4.24 1.7928 5 0 0 2 51.13 1.01 1.7865 1 3 3 4 51.44 5.92 1.7765 -5 2 1 4 51.92 7.80 1.7610 -4 3 3 4 51.96 2.37 1.7597 5 1 0 4 52.30 1.23 1.7491 -2 4 3 4 52.57 2.55 1.7408 0 2 4 4 53.20 5.18 1.7218 1 5 1 4 53.35 4.46 1.7171 -2 5 1 4 53.42 2.80 1.7152 -5 2 3 4 53.64 3.50 1.7086 1 0 4 2 54.11 2.82 1.6949 0 4 3 4 54.57 2.89 1.6817 -3 4 3 4 54.62 5.08 1.6803 -1 3 4 4 54.67 1.47 1.6787 -1 5 2 4 54.87 4.35 1.6733 -5 0 4 2 54.98 1.40 1.6702 -4 4 1 4 55.48 1.04 1.6564 4 0 2 2 55.81 1.28 1.6473 -2 5 2 4 55.85 1.21 1.6463 -5 1 4 4 57.25 2.80 1.6092 2 3 3 4 57.28 2.93 1.6085 2 5 1 4 57.40 1.15 1.6052 -3 1 5 4 57.41 4.63 1.6051 4 4 0 4 57.48 1.55 1.6032 0 3 4 4 58.04 1.48 1.5890 1 4 3 4 58.27 2.64 1.5834 -4 3 4 4 58.28 3.05 1.5832 -5 3 3 4 58.78 1.51 1.5710 -4 4 3 4 58.93 1.76 1.5674 -3 5 2 4 59.63 1.16 1.5504 -4 1 5 4 59.99 2.34 1.5422 -2 2 5 4 60.26 3.28 1.5358 -6 2 2 4 60.33 3.78 1.5342 3 2 3 4 60.37 1.32 1.5333 0 6 0 2 60.84 5.54 1.5226 -1 5 3 4 61.14 3.99 1.5158 5 2 1 4 62.13 2.96 1.4940 6 0 0 2 62.53 1.35 1.4855 4 4 1 4 63.04 1.90 1.4747 6 1 0 4 63.42 3.83 1.4667 -4 5 1 4 63.72 2.53 1.4604 -5 1 5 4 63.85 1.26 1.4579 -4 5 2 4 63.95 4.18 1.4559 0 4 4 4 64.76 1.39 1.4395 -3 3 5 4 64.79 1.63 1.4389 -6 3 2 4 64.86 4.83 1.4375 3 3 3 4 65.62 1.17 1.4228 -6 2 4 4 65.64 2.61 1.4223 5 3 1 4 65.66 3.40 1.4221 4 5 0 4 66.08 1.85 1.4140 5 0 2 2 66.09 1.38 1.4137 -6 3 3 4 66.14 1.70 1.4128 -6 3 1 4 66.17 2.90 1.4122 -1 3 5 4 66.96 2.09 1.3976 5 1 2 4 67.51 3.06 1.3874 -3 6 1 4 68.44 1.10 1.3709 -7 1 3 4 68.44 1.31 1.3708 1 6 2 4 68.66 4.29 1.3670 -3 0 6 2 68.80 1.97 1.3646 -3 6 2 4 68.82 1.40 1.3642 3 6 0 4 69.30 1.81 1.3559 -2 0 6 2 69.61 1.30 1.3507 0 3 5 4 70.51 2.08 1.3355 1 2 5 4 70.69 2.09 1.3327 -4 1 6 4 70.69 3.69 1.3326 -2 6 3 4 70.83 2.18 1.3304 -5 5 1 4 70.88 1.01 1.3295 -6 4 2 4 71.56 1.17 1.3185 2 5 3 4 72.19 1.98 1.3086 6 2 1 4 72.22 1.04 1.3081 0 6 3 4 72.47 2.12 1.3042 -4 5 4 4 72.58 1.35 1.3025 -1 1 6 4 72.66 1.04 1.3013 3 6 1 4 73.37 3.60 1.2905 -4 6 2 4 73.62 1.81 1.2867 -5 1 6 4 73.79 1.18 1.2841 5 5 0 4 75.86 1.53 1.2542 -6 4 4 4 75.89 1.60 1.2538 0 0 6 2 76.37 1.20 1.2470 3 3 4 4 77.00 1.46 1.2384 -2 7 2 4 77.55 1.01 1.2310 4 5 2 4 78.26 1.41 1.2216 2 7 1 4 79.17 1.11 1.2098 -8 1 3 4 79.61 1.16 1.2042 -8 1 2 4 80.30 1.01 1.1956 -4 5 5 4 81.36 2.03 1.1827 -1 7 3 4 81.86 1.83 1.1768 7 1 1 4 81.97 1.05 1.1754 -6 4 5 4 83.34 2.89 1.1596 -7 3 5 4 83.69 2.60 1.1556 -7 0 6 2 84.99 2.61 1.1412 1 6 4 4 87.75 2.27 1.1123 8 1 0 4 88.32 1.07 1.1066 7 3 1 4 89.01 1.97 1.0998 -1 7 4 4 89.09 1.32 1.0990 2 0 6 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.