Polyhalite
Bindi L
Acta Crystallographica E61 (2005) i135-i136
Reinvestigation of the crystal structure of polyhalite, K2Ca2Mg(SO4)4*2H2O
_database_code_amcsd 0010450
CELL PARAMETERS: 6.9750 6.9840 8.8990 104.010 101.190 114.100
SPACE GROUP: P-1
X-RAY WAVELENGTH: 1.541838
Cell Volume: 362.337
Density (g/cm3): 2.783
MAX. ABS. INTENSITY / VOLUME**2: 8.243868472
RIR: 0.965
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
14.74 23.19 6.0087 1 0 0 2
14.89 8.67 5.9506 0 1 0 2
14.96 5.50 5.9234 0 -1 1 2
15.13 3.48 5.8540 -1 1 0 2
18.39 7.80 4.8252 1 -1 1 2
21.42 4.91 4.1486 0 1 1 2
21.56 2.75 4.1210 0 -1 2 2
21.94 4.17 4.0515 -1 0 2 2
23.44 1.16 3.7947 -1 -1 1 2
25.62 8.84 3.4774 1 1 0 2
26.06 14.50 3.4196 -2 1 0 2
26.15 2.39 3.4077 1 -2 1 2
26.18 3.45 3.4037 -1 -1 2 2
26.26 2.00 3.3934 1 -1 2 2
26.49 3.41 3.3642 -2 1 1 2
27.99 100.00 3.1875 0 -2 1 2
28.05 69.88 3.1809 -2 0 1 2
29.74 1.27 3.0044 2 0 0 2
30.01 12.56 2.9775 2 -1 1 2
30.30 32.74 2.9493 1 0 2 2
30.54 59.42 2.9270 -2 2 0 2
30.72 40.32 2.9100 0 1 2 2
30.75 5.29 2.9074 -1 2 1 2
30.90 39.57 2.8942 0 -1 3 2
31.15 9.10 2.8710 -2 1 2 2
31.34 35.64 2.8546 -1 0 3 2
31.77 1.32 2.8164 1 1 1 2
32.17 2.64 2.7821 2 -2 1 2
32.83 1.20 2.7281 -2 2 1 2
35.09 5.88 2.5576 2 0 1 2
35.65 1.93 2.5188 0 2 1 2
35.89 5.20 2.5023 0 -2 3 2
36.02 1.06 2.4933 1 -1 3 2
36.53 6.06 2.4597 -2 0 3 2
36.86 3.63 2.4383 -1 -2 2 2
36.97 1.28 2.4315 -2 -1 2 2
37.09 4.41 2.4240 2 -1 2 2
37.27 6.35 2.4126 2 -2 2 2
37.56 7.38 2.3945 1 -2 3 2
38.14 12.32 2.3598 -1 2 2 2
38.42 5.29 2.3432 -2 2 2 2
38.67 8.47 2.3287 -2 1 3 2
40.04 6.85 2.2516 -3 1 0 2
40.29 1.14 2.2385 1 1 2 2
40.34 2.90 2.2358 1 -3 2 2
40.38 1.15 2.2339 -1 -2 3 2
40.50 6.73 2.2272 -1 3 0 2
40.55 2.05 2.2245 2 -3 1 2
40.97 3.51 2.2031 -3 1 2 2
41.19 4.81 2.1916 0 1 3 2
41.38 2.40 2.1821 0 -1 4 2
41.42 6.21 2.1800 -1 -1 4 2
41.85 2.48 2.1585 -1 0 4 2
44.07 1.44 2.0548 -2 3 1 2
44.47 3.89 2.0371 0 0 4 2
45.28 1.01 2.0029 3 0 0 2
45.29 6.56 2.0023 2 1 1 2
45.57 7.59 1.9907 1 2 1 2
45.74 2.96 1.9835 0 3 0 2
45.88 2.00 1.9779 -3 1 3 2
45.96 1.26 1.9745 0 -3 3 2
46.08 4.00 1.9698 2 -1 3 2
46.55 8.74 1.9510 -1 -2 4 2
46.60 3.42 1.9491 -3 0 3 2
46.88 4.56 1.9380 -2 -1 4 2
47.58 3.77 1.9111 3 -3 1 2
47.93 3.02 1.8979 -2 1 4 2
47.95 11.92 1.8974 -2 -2 2 2
48.50 9.43 1.8772 3 -2 2 2
48.86 5.84 1.8640 2 -3 3 2
48.99 1.19 1.8595 -2 -2 1 2
49.90 5.79 1.8275 -2 3 2 2
50.35 5.70 1.8123 -3 2 3 2
50.38 14.05 1.8111 3 0 1 2
51.16 9.25 1.7856 0 3 1 2
51.50 11.24 1.7746 0 -3 4 2
51.95 1.04 1.7603 1 0 4 2
52.41 5.40 1.7457 -3 0 4 2
52.64 4.03 1.7387 2 2 0 2
52.70 3.10 1.7370 2 -4 1 2
52.80 5.97 1.7337 -4 2 1 2
53.03 1.05 1.7269 -3 1 4 2
53.80 1.57 1.7039 2 -4 2 2
53.87 5.56 1.7018 -2 -2 4 2
54.15 1.19 1.6938 -2 4 0 2
54.46 1.11 1.6850 -2 0 5 2
55.77 1.80 1.6484 -2 2 4 2
56.41 1.38 1.6311 2 -3 4 2
56.44 1.21 1.6303 -4 3 0 2
56.75 1.25 1.6221 -3 4 0 2
57.01 1.22 1.6154 1 -2 5 2
57.28 1.48 1.6084 3 -3 3 2
57.73 1.69 1.5970 -2 3 3 2
57.86 3.58 1.5938 0 -4 2 2
57.99 2.76 1.5905 -4 0 2 2
59.14 1.98 1.5621 -3 3 3 2
59.33 2.97 1.5576 -1 1 5 2
59.84 2.84 1.5455 4 -1 1 2
60.79 2.40 1.5237 1 -4 4 2
60.99 3.88 1.5192 -1 4 1 2
61.27 2.04 1.5129 1 1 4 2
62.16 3.50 1.4934 -4 1 4 2
62.67 3.36 1.4825 -1 -1 6 2
62.72 1.93 1.4813 4 -3 2 2
63.02 1.88 1.4751 3 -4 3 2
63.57 9.02 1.4635 -4 4 0 2
64.39 1.67 1.4470 -3 4 2 2
64.78 1.88 1.4391 -4 3 3 2
67.75 3.20 1.3831 3 2 0 2
67.95 1.67 1.3795 2 3 0 2
69.10 4.80 1.3594 3 -1 4 2
69.37 1.53 1.3547 -2 -3 5 2
69.62 1.13 1.3505 -3 0 6 2
69.64 1.40 1.3501 -3 -2 5 2
70.35 4.14 1.3382 1 -3 6 2
70.77 1.25 1.3313 2 -4 5 2
70.91 5.22 1.3290 -1 3 4 2
71.79 1.26 1.3149 4 1 0 2
71.95 1.24 1.3123 -2 4 3 2
72.27 4.46 1.3074 -3 1 6 2
72.68 1.04 1.3010 5 -2 1 2
73.30 1.68 1.2915 -1 -4 5 2
74.10 1.51 1.2796 -4 -1 5 2
74.73 3.39 1.2702 3 -3 5 2
75.24 1.23 1.2629 -5 2 4 2
77.11 3.65 1.2370 -2 -4 3 2
77.19 3.89 1.2358 -4 -2 3 2
77.45 1.30 1.2323 -3 3 5 2
77.51 2.38 1.2315 3 1 3 2
78.35 1.94 1.2204 1 3 3 2
79.37 1.14 1.2073 5 -4 2 2
79.62 1.43 1.2041 4 -5 3 2
79.97 2.20 1.1997 -1 -3 7 2
80.92 2.33 1.1881 -3 -1 7 2
81.19 1.27 1.1847 0 -5 5 2
81.31 1.68 1.1833 -4 5 2 2
81.69 1.31 1.1788 -5 4 3 2
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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.