H4 K4 Mo N8 O2
Hoard J, Nordsieck H
Journal of the American Chemical Society 61 (1939) 2853-2863
The Structure of Potassium Molybdocyanide Dihydrate. The Configuration
of the Molybdenum Octocyanide Group
_cod_database_code 1010103
_database_code_amcsd 0017036
CELL PARAMETERS: 16.5500 11.7000 8.6800 90.000 90.000 90.000
SPACE GROUP: Pnma
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1680.752
Density (g/cm3): 1.946
MAX. ABS. INTENSITY / VOLUME**2: 4.578873938
RIR: 0.766
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.51 28.63 7.6869 1 0 1 4
12.70 45.73 6.9711 0 1 1 4
13.10 100.00 6.7560 2 1 0 4
13.78 65.77 6.4244 1 1 1 8
14.79 3.49 5.9894 2 0 1 4
15.15 87.48 5.8500 0 2 0 2
16.63 2.73 5.3314 2 1 1 8
18.57 2.64 4.7769 2 2 0 4
19.06 51.10 4.6559 3 0 1 4
19.06 31.03 4.6552 1 2 1 8
20.46 2.07 4.3400 0 0 2 2
20.53 16.95 4.3260 3 1 1 8
21.16 61.72 4.1981 1 0 2 4
21.23 61.33 4.1850 2 2 1 8
21.48 53.32 4.1375 4 0 0 2
22.50 14.02 3.9514 1 1 2 8
22.80 3.78 3.9008 4 1 0 4
23.82 1.63 3.7349 4 0 1 4
24.38 1.20 3.6515 2 1 2 8
24.43 60.48 3.6430 3 2 1 8
25.03 6.80 3.5580 4 1 1 8
25.03 16.03 3.5574 0 3 1 4
25.24 1.93 3.5278 2 3 0 4
25.56 27.44 3.4855 0 2 2 4
25.61 9.44 3.4780 1 3 1 8
26.12 4.93 3.4110 3 0 2 4
26.13 1.15 3.4107 1 2 2 8
27.23 14.07 3.2747 3 1 2 8
27.29 16.78 3.2682 2 3 1 8
27.77 10.82 3.2122 2 2 2 8
28.35 4.09 3.1480 4 2 1 8
29.84 11.90 2.9947 4 0 2 4
29.88 7.25 2.9901 5 1 1 8
29.89 1.16 2.9897 3 3 1 8
30.33 14.16 2.9467 3 2 2 8
30.56 78.90 2.9250 0 4 0 2
30.82 8.20 2.9012 4 1 2 8
31.31 10.94 2.8573 1 3 2 8
31.86 8.32 2.8087 0 1 3 4
32.33 8.25 2.7691 1 1 3 8
32.46 22.43 2.7583 6 0 0 2
32.47 4.40 2.7578 2 4 0 4
32.71 6.03 2.7375 2 3 2 8
32.75 31.80 2.7342 5 2 1 8
32.76 1.19 2.7338 1 4 1 8
32.79 59.82 2.7312 2 0 3 4
33.21 66.92 2.6974 4 3 1 8
33.37 10.88 2.6847 6 1 0 4
33.62 22.33 2.6657 4 2 2 8
34.06 23.82 2.6319 5 0 2 4
34.11 2.64 2.6288 6 0 1 4
34.94 5.59 2.5677 5 1 2 8
34.98 3.84 2.5648 6 1 1 8
35.02 35.31 2.5623 3 0 3 4
35.02 13.34 2.5622 1 2 3 8
36.27 24.52 2.4768 3 4 1 8
36.30 1.99 2.4748 2 2 3 8
37.06 7.81 2.4255 0 4 2 4
37.10 1.63 2.4233 5 3 1 8
37.47 1.01 2.4002 5 2 2 8
37.47 12.63 2.3999 1 4 2 8
37.51 24.53 2.3978 6 2 1 8
37.66 20.83 2.3884 4 4 0 4
37.88 7.51 2.3752 4 3 2 8
37.95 8.47 2.3711 4 0 3 4
38.68 4.67 2.3276 2 4 2 8
38.75 7.66 2.3239 4 1 3 8
38.75 7.95 2.3237 0 3 3 4
39.15 13.62 2.3011 1 3 3 8
39.47 1.44 2.2832 6 1 2 8
39.50 3.27 2.2812 7 0 1 4
39.90 1.29 2.2593 0 5 1 4
40.04 4.19 2.2520 6 3 0 4
40.04 6.25 2.2517 2 5 0 4
40.29 1.90 2.2386 1 5 1 8
40.31 2.93 2.2372 2 3 3 8
40.63 2.47 2.2204 3 4 2 8
41.39 2.35 2.1816 5 3 2 8
41.42 1.44 2.1798 6 3 1 8
41.45 1.30 2.1784 5 0 3 4
41.76 4.24 2.1630 6 2 2 8
42.20 1.24 2.1416 5 1 3 8
42.54 13.41 2.1253 7 2 1 8
42.54 1.88 2.1251 5 4 1 8
43.24 1.95 2.0925 4 4 2 8
43.27 2.36 2.0908 3 5 1 8
43.59 1.53 2.0762 7 0 2 4
43.76 7.53 2.0687 8 0 0 2
43.82 14.43 2.0660 2 1 4 8
44.31 9.30 2.0443 7 1 2 8
44.32 3.42 2.0439 1 5 2 8
44.47 1.16 2.0372 8 1 0 4
44.48 4.31 2.0368 4 5 0 4
44.73 1.15 2.0260 4 3 3 8
44.89 7.34 2.0193 1 2 4 8
45.18 3.66 2.0068 6 4 0 4
45.37 4.41 1.9989 6 3 2 8
45.38 2.34 1.9987 2 5 2 8
45.43 13.97 1.9965 6 0 3 4
45.43 21.06 1.9962 2 4 3 8
45.59 3.47 1.9900 3 1 4 8
46.10 1.64 1.9691 7 3 1 8
46.12 1.32 1.9680 6 1 3 8
46.41 4.77 1.9566 7 2 2 8
46.41 13.42 1.9565 5 4 2 8
46.44 5.78 1.9552 6 4 1 8
46.56 4.09 1.9504 8 2 0 4
46.57 17.29 1.9500 0 6 0 2
47.10 12.44 1.9296 3 5 2 8
47.15 4.83 1.9274 3 4 3 8
47.30 3.46 1.9217 4 0 4 4
47.64 8.35 1.9089 3 2 4 8
47.80 6.56 1.9029 8 2 1 8
47.83 9.07 1.9018 5 3 3 8
48.14 1.03 1.8901 1 6 1 8
48.16 10.56 1.8895 6 2 3 8
48.31 2.59 1.8839 1 3 4 8
49.14 1.71 1.8542 2 6 1 8
49.30 13.03 1.8483 2 3 4 8
49.42 1.97 1.8441 8 1 2 8
49.48 3.45 1.8419 4 4 3 8
49.81 1.15 1.8308 7 0 3 4
49.90 1.29 1.8276 8 3 0 4
49.95 1.02 1.8257 4 2 4 8
50.14 2.51 1.8194 0 5 3 4
50.45 1.24 1.8088 7 1 3 8
50.75 2.98 1.7988 7 4 1 8
50.76 6.79 1.7986 3 6 1 8
50.92 2.38 1.7933 3 3 4 8
51.07 1.26 1.7883 8 3 1 8
51.19 7.52 1.7844 6 5 0 4
51.36 4.49 1.7790 8 2 2 8
51.37 1.62 1.7787 0 6 2 4
51.39 2.18 1.7781 9 1 1 8
51.69 2.18 1.7685 1 6 2 8
51.83 2.64 1.7639 4 6 0 4
52.31 4.26 1.7488 5 5 2 8
52.36 1.11 1.7472 7 2 3 8
52.82 7.33 1.7333 5 2 4 8
52.82 1.13 1.7332 1 4 4 8
53.04 1.64 1.7265 1 0 5 4
53.27 2.66 1.7195 9 2 1 8
53.66 4.85 1.7080 1 1 5 8
53.97 1.65 1.6990 2 0 5 4
54.17 4.97 1.6932 9 0 2 4
54.31 4.16 1.6890 8 4 0 4
54.53 2.60 1.6828 8 0 3 4
55.14 4.09 1.6657 8 1 3 8
55.15 2.52 1.6655 4 5 3 8
55.28 1.21 1.6618 3 4 4 8
55.49 7.14 1.6559 3 0 5 4
55.49 2.37 1.6559 1 2 5 8
55.53 3.63 1.6550 10 0 0 2
55.73 1.20 1.6495 5 6 1 8
55.75 9.89 1.6490 6 4 3 8
56.03 4.31 1.6413 0 7 1 4
56.09 2.66 1.6396 3 1 5 8
56.30 3.85 1.6341 4 6 2 8
56.32 2.42 1.6335 9 3 1 8
56.33 2.45 1.6333 1 7 1 8
56.59 2.53 1.6264 9 2 2 8
57.37 1.62 1.6061 4 4 4 8
57.58 1.79 1.6008 4 0 5 4
57.91 2.44 1.5925 10 2 0 4
57.91 1.37 1.5923 6 6 0 4
58.13 6.83 1.5870 2 6 3 8
58.95 4.16 1.5668 5 6 2 8
58.97 2.12 1.5664 10 2 1 8
58.98 5.17 1.5662 6 6 1 8
59.12 1.83 1.5626 6 3 4 8
59.13 3.58 1.5625 2 5 4 8
59.52 6.88 1.5530 7 5 2 8
59.58 1.02 1.5517 3 6 3 8
59.66 1.00 1.5499 8 5 0 4
59.86 5.48 1.5451 8 3 3 8
59.99 1.30 1.5422 7 2 4 8
60.39 2.00 1.5328 2 7 2 8
60.70 6.35 1.5256 4 7 1 8
60.76 9.98 1.5243 5 1 5 8
61.01 1.28 1.5188 6 5 3 8
61.83 2.39 1.5006 10 3 1 8
62.08 3.74 1.4950 10 2 2 8
62.46 4.52 1.4868 1 4 5 8
62.54 1.92 1.4852 8 1 4 8
62.68 3.06 1.4822 7 6 1 8
62.82 3.97 1.4792 7 3 4 8
63.30 1.02 1.4692 2 4 5 8
63.48 3.16 1.4654 9 4 2 8
63.62 2.18 1.4625 0 8 0 2
63.77 1.71 1.4595 4 7 2 8
63.81 1.74 1.4587 8 4 3 8
64.37 1.21 1.4473 0 7 3 4
64.49 1.06 1.4449 1 6 4 8
64.64 1.82 1.4420 9 3 3 8
64.64 1.84 1.4419 7 5 3 8
64.65 2.23 1.4418 1 7 3 8
64.68 1.93 1.4410 3 4 5 8
64.72 3.14 1.4404 10 4 0 4
64.89 3.87 1.4370 11 2 1 8
65.23 1.20 1.4304 1 1 6 8
65.23 1.63 1.4303 5 3 5 8
65.46 1.81 1.4259 10 1 3 8
65.50 1.16 1.4250 6 2 5 8
65.72 1.29 1.4208 2 8 1 8
65.82 3.24 1.4190 8 6 0 4
66.05 2.18 1.4146 2 1 6 8
66.26 1.75 1.4105 6 7 1 8
66.68 1.37 1.4027 3 6 4 8
66.86 1.14 1.3993 7 0 5 4
67.08 3.33 1.3953 3 8 1 8
67.09 1.72 1.3951 10 2 3 8
67.10 4.69 1.3950 6 6 3 8
67.40 1.20 1.3894 7 1 5 8
67.41 5.44 1.3893 1 5 5 8
67.59 1.27 1.3859 0 8 2 4
67.85 1.13 1.3813 11 2 2 8
68.51 1.00 1.3697 12 1 0 4
68.56 1.55 1.3688 4 6 4 8
68.70 1.88 1.3662 8 5 3 8
68.82 7.20 1.3642 9 2 4 8
69.54 3.38 1.3518 1 3 6 8
69.55 3.28 1.3517 3 5 5 8
70.10 2.27 1.3424 12 2 0 4
70.33 4.57 1.3385 2 3 6 8
70.86 1.64 1.3298 4 2 6 8
71.06 2.98 1.3266 12 2 1 8
71.09 2.64 1.3261 5 7 3 8
71.34 1.20 1.3221 5 8 1 8
71.84 1.04 1.3142 4 8 2 8
72.25 1.38 1.3077 10 1 4 8
72.26 3.35 1.3075 2 7 4 8
73.21 1.47 1.2928 5 2 6 8
73.22 1.02 1.2927 1 6 5 8
73.56 2.82 1.2876 3 7 4 8
73.74 6.75 1.2849 5 5 5 8
73.90 1.83 1.2824 12 2 2 8
74.17 1.36 1.2785 9 6 2 8
74.20 1.42 1.2780 6 8 1 8
74.47 1.11 1.2740 8 6 3 8
75.10 1.28 1.2649 9 4 4 8
75.28 1.24 1.2623 7 4 5 8
75.29 1.34 1.2622 3 6 5 8
75.36 1.04 1.2612 8 5 4 8
75.79 1.23 1.2551 9 1 5 8
76.38 1.40 1.2469 10 3 4 8
77.53 1.24 1.2312 7 8 1 8
78.06 2.34 1.2243 10 5 3 8
79.03 1.16 1.2116 10 6 2 8
80.03 1.50 1.1989 12 4 2 8
80.91 2.08 1.1882 12 5 0 4
81.44 2.61 1.1817 4 1 7 8
81.60 1.61 1.1798 6 8 3 8
81.88 2.76 1.1765 7 3 6 8
82.43 3.55 1.1700 0 10 0 2
83.72 1.47 1.1553 7 7 4 8
85.21 2.46 1.1388 9 6 4 8
85.22 1.09 1.1387 5 8 4 8
85.38 1.58 1.1370 11 0 5 4
85.45 1.08 1.1363 4 3 7 8
86.43 1.42 1.1259 4 10 0 4
87.04 1.62 1.1195 14 2 2 8
87.88 2.36 1.1110 9 5 5 8
88.46 1.18 1.1052 2 9 4 8
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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.