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
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XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.