Kainite Borisov A S, Siidra O I, Ugolkov V L, Kuznetsov A N, Firsova V A, Charkin D O, Platonova N V, Pekov Mineralogical Magazine 86 (2022) 37-48 Complex hydrogen bonding and thermal behaviour over a wide temperature range of kainite KMg(SO4)Cl*2.75H2O Note: T = 100 K Locality: Wilhelmshall, Halberstadt, Saxony-Anhalt, Germany _database_code_amcsd 0021072 CELL PARAMETERS: 19.6742 16.1824 9.4914 90.000 94.884 90.000 SPACE GROUP: C2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 3010.860 Density (g/cm3): 2.157 MAX. ABS. INTENSITY / VOLUME**2: 4.998596529 RIR: 0.755 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.02 1.45 9.8014 2 0 0 2 10.93 48.35 8.0912 0 2 0 2 11.43 59.79 7.7419 -1 1 1 4 12.04 74.95 7.3480 1 1 1 4 14.19 9.32 6.2398 2 2 0 4 17.05 3.10 5.2008 1 3 0 4 17.45 2.89 5.0831 2 2 1 4 18.77 17.61 4.7285 0 0 2 2 19.29 30.90 4.6012 -1 3 1 4 19.67 2.45 4.5143 1 3 1 4 21.36 7.32 4.1598 3 3 0 4 21.97 4.24 4.0456 0 4 0 2 22.97 2.22 3.8710 -2 2 2 4 23.83 2.73 3.7339 3 3 1 4 23.84 9.45 3.7328 4 2 1 4 23.92 4.67 3.7195 0 4 1 4 25.03 4.90 3.5575 -4 0 2 2 25.90 7.56 3.4396 2 4 1 4 25.92 11.45 3.4370 5 1 1 4 27.30 1.15 3.2671 6 0 0 2 27.30 30.04 3.2667 4 0 2 2 27.39 4.20 3.2566 -4 2 2 4 27.79 5.09 3.2107 -3 3 2 4 28.13 3.80 3.1725 -6 0 1 2 28.61 7.37 3.1199 4 4 0 4 28.83 2.65 3.0964 -1 1 3 4 29.05 4.24 3.0740 0 4 2 4 29.07 100.00 3.0712 -5 3 1 4 29.36 1.31 3.0425 3 3 2 4 29.40 39.10 3.0382 -1 5 1 4 29.48 12.32 3.0295 6 2 0 4 29.49 4.09 3.0291 4 2 2 4 29.60 66.15 3.0177 1 1 3 4 29.66 1.01 3.0118 -4 4 1 4 29.98 27.72 2.9806 -2 4 2 4 30.26 2.82 2.9536 -6 2 1 4 30.34 33.67 2.9463 5 3 1 4 30.43 2.16 2.9373 0 2 3 4 30.52 1.29 2.9291 2 0 3 2 30.83 3.12 2.9002 3 5 0 4 30.93 7.88 2.8915 -3 1 3 4 30.97 2.45 2.8879 2 4 2 4 31.08 2.32 2.8771 -2 2 3 4 31.72 10.02 2.8211 6 2 1 4 31.94 13.87 2.8018 -6 0 2 2 32.89 35.08 2.7232 -1 3 3 4 32.90 3.00 2.7220 -5 3 2 4 33.04 9.84 2.7108 -7 1 1 4 33.05 8.03 2.7102 3 1 3 4 33.22 25.70 2.6971 0 6 0 2 33.54 5.91 2.6715 -4 4 2 4 33.65 8.20 2.6635 -1 5 2 4 33.86 6.14 2.6476 -6 2 2 4 34.10 8.37 2.6295 1 5 2 4 34.49 6.28 2.6004 2 6 0 4 34.62 2.34 2.5911 7 1 1 4 34.68 1.60 2.5869 6 0 2 2 34.76 8.40 2.5806 -3 3 3 4 35.42 2.17 2.5340 -5 1 3 4 36.46 6.62 2.4640 6 2 2 4 36.68 11.50 2.4503 8 0 0 2 36.68 1.61 2.4498 -2 4 3 4 36.69 3.64 2.4493 3 3 3 4 36.74 1.25 2.4462 -5 5 1 4 37.11 1.39 2.4226 -8 0 1 2 38.08 2.15 2.3629 4 6 0 4 38.42 1.59 2.3428 0 6 2 4 38.54 4.04 2.3358 5 1 3 4 38.74 1.30 2.3245 8 0 1 2 38.91 1.93 2.3149 -4 6 1 4 39.11 6.10 2.3033 -6 4 2 4 39.15 1.64 2.3007 7 1 2 4 39.16 2.07 2.3006 -2 6 2 4 39.82 1.59 2.2639 -3 1 4 4 39.92 2.22 2.2584 -5 5 2 4 39.98 4.06 2.2550 2 0 4 2 40.33 1.21 2.2362 -1 7 1 4 40.37 1.88 2.2341 8 2 1 4 40.95 2.14 2.2041 -4 0 4 2 41.43 6.12 2.1794 6 4 2 4 41.43 1.07 2.1794 3 7 0 4 41.51 3.40 2.1757 -3 5 3 4 41.58 1.10 2.1722 2 2 4 4 41.65 3.96 2.1684 -7 1 3 4 41.77 3.24 2.1625 5 3 3 4 41.83 2.15 2.1597 4 4 3 4 41.85 1.17 2.1586 9 1 0 4 42.04 5.33 2.1492 -4 6 2 4 42.29 1.35 2.1371 -3 7 1 4 42.51 9.03 2.1266 -4 2 4 4 42.85 3.65 2.1107 3 7 1 4 43.00 3.36 2.1036 8 0 2 2 43.17 2.16 2.0955 -7 5 1 4 43.18 8.16 2.0952 3 5 3 4 43.34 1.27 2.0878 -5 1 4 4 43.51 1.47 2.0799 6 6 0 4 43.51 19.63 2.0798 4 6 2 4 43.54 1.26 2.0785 -8 4 1 4 43.91 2.29 2.0618 4 0 4 2 44.19 1.59 2.0493 0 6 3 4 44.44 2.43 2.0387 7 5 1 4 44.67 3.40 2.0286 -2 6 3 4 44.81 1.07 2.0228 0 8 0 2 45.09 1.54 2.0106 -5 5 3 4 45.16 4.39 2.0078 -9 3 1 4 45.40 4.18 1.9978 -6 0 4 2 45.46 1.36 1.9950 7 1 3 4 45.81 2.55 1.9809 -7 5 2 4 46.08 1.31 1.9697 2 4 4 4 46.18 3.70 1.9658 -5 7 1 4 46.32 7.80 1.9603 10 0 0 2 46.73 2.76 1.9440 9 3 1 4 46.75 1.15 1.9431 -6 6 2 4 46.84 1.87 1.9396 -6 2 4 4 46.87 1.03 1.9384 5 1 4 4 46.94 9.39 1.9355 -4 4 4 4 47.11 1.24 1.9291 -4 6 3 4 47.69 2.16 1.9071 5 5 3 4 48.27 2.12 1.8852 -1 1 5 4 48.31 2.02 1.8838 7 3 3 4 48.70 4.11 1.8698 4 8 0 4 48.78 4.88 1.8669 6 6 2 4 49.11 1.58 1.8552 1 1 5 4 49.34 4.91 1.8471 1 7 3 4 49.38 1.44 1.8457 -4 8 1 4 49.58 1.54 1.8385 -2 8 2 4 49.63 6.62 1.8370 4 4 4 4 50.12 1.17 1.8201 -10 2 2 4 50.21 1.09 1.8170 -3 7 3 4 50.24 1.55 1.8161 2 8 2 4 50.76 1.09 1.7985 -9 5 1 4 50.98 1.92 1.7913 -6 4 4 4 51.01 1.01 1.7905 -1 3 5 4 51.37 1.99 1.7787 -8 0 4 2 51.60 1.27 1.7714 11 1 0 4 51.66 1.13 1.7693 3 7 3 4 51.69 3.03 1.7684 -11 1 1 4 51.90 2.00 1.7618 -1 9 1 4 52.02 1.96 1.7580 -3 3 5 4 52.20 1.01 1.7522 9 5 1 4 52.69 3.07 1.7373 -8 2 4 4 53.26 4.33 1.7198 6 8 0 4 53.27 1.48 1.7198 4 8 2 4 53.42 1.74 1.7150 11 1 1 4 53.74 1.77 1.7056 -6 8 1 4 53.99 2.58 1.6984 3 9 1 4 54.36 1.98 1.6876 3 3 5 4 54.75 2.77 1.6766 6 4 4 4 55.43 1.22 1.6577 -4 4 5 4 55.98 1.33 1.6427 9 3 3 4 56.15 2.12 1.6380 4 6 4 4 56.32 1.43 1.6336 12 0 0 2 56.33 1.79 1.6333 8 0 4 2 56.52 1.18 1.6283 -8 4 4 4 56.83 3.12 1.6202 -5 9 1 4 56.90 1.22 1.6182 0 10 0 2 56.92 1.18 1.6178 -9 5 3 4 56.93 1.83 1.6175 1 5 5 4 57.11 1.91 1.6128 10 4 2 4 57.13 1.28 1.6124 -3 5 5 4 57.56 1.91 1.6013 12 2 0 4 57.57 1.68 1.6010 8 2 4 4 57.74 1.90 1.5966 2 10 0 4 58.16 1.08 1.5863 -12 0 2 2 58.18 3.87 1.5857 10 6 0 4 58.56 1.91 1.5762 0 0 6 2 59.14 3.59 1.5621 -1 9 3 4 59.23 1.40 1.5599 8 8 0 4 59.27 3.66 1.5590 -11 5 1 4 59.58 1.64 1.5517 1 9 3 4 59.78 1.44 1.5471 0 2 6 4 59.92 4.15 1.5438 -11 3 3 4 60.27 3.69 1.5356 -10 6 2 4 60.86 1.28 1.5221 11 5 1 4 60.86 1.49 1.5220 9 5 3 4 61.09 2.03 1.5170 7 7 3 4 61.31 1.07 1.5120 -4 2 6 4 61.45 6.38 1.5089 2 2 6 4 62.26 1.85 1.4913 11 1 3 4 62.30 5.44 1.4903 -4 8 4 4 62.94 1.48 1.4768 -12 4 2 4 63.11 2.12 1.4731 10 6 2 4 63.12 1.64 1.4730 -4 10 2 4 63.33 3.40 1.4686 0 4 6 4 63.40 2.17 1.4670 -1 7 5 4 63.84 1.91 1.4581 8 8 2 4 64.18 1.99 1.4511 -1 11 1 4 65.70 1.14 1.4212 -1 5 6 4 65.86 1.19 1.4181 13 3 1 4 66.78 1.25 1.4009 -12 0 4 2 67.79 1.87 1.3824 11 7 1 4 67.90 3.33 1.3804 -12 2 4 4 68.38 2.24 1.3719 6 10 2 4 68.62 3.13 1.3676 7 5 5 4 68.94 1.32 1.3621 -13 3 3 4 68.97 2.58 1.3616 -2 6 6 4 69.01 2.01 1.3608 0 6 6 4 69.03 1.60 1.3605 -8 2 6 4 69.34 1.97 1.3552 -9 5 5 4 69.63 2.34 1.3503 8 10 0 4 69.73 3.47 1.3485 0 12 0 2 70.52 1.22 1.3354 0 10 4 4 71.27 1.56 1.3232 14 4 0 4 71.78 1.49 1.3150 -11 3 5 4 71.79 1.14 1.3148 -1 3 7 4 71.83 2.61 1.3142 12 6 2 4 71.94 1.99 1.3125 14 0 2 2 72.24 1.97 1.3079 -5 1 7 4 72.34 1.16 1.3062 -8 4 6 4 72.93 2.27 1.2971 3 11 3 4 72.95 1.46 1.2968 0 12 2 4 73.03 1.13 1.2956 14 2 2 4 74.41 1.23 1.2750 -5 3 7 4 74.56 2.24 1.2728 -15 3 1 4 75.66 1.08 1.2569 11 7 3 4 76.54 1.21 1.2446 9 9 3 4 76.64 2.08 1.2433 0 8 6 4 76.68 1.12 1.2427 -3 5 7 4 77.05 1.04 1.2377 -14 2 4 4 77.56 1.17 1.2309 1 13 1 4 78.37 1.05 1.2201 13 5 3 4 78.89 1.18 1.2134 -15 3 3 4 78.91 1.38 1.2132 5 3 7 4 79.24 1.02 1.2089 -7 9 5 4 80.11 1.09 1.1980 -16 2 2 4 81.57 1.71 1.1802 14 6 2 4 82.31 2.20 1.1714 0 12 4 4 83.30 1.46 1.1600 -4 2 8 4 83.86 1.02 1.1537 1 13 3 4 88.10 1.18 1.1088 13 3 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.