Serandite
Williams E R, Weller M T
American Mineralogist 99 (2014) 1755-1760
A variable-temperature neutron diffraction study of serandite: A Mn-silicate
framework with a very strong, two-proton site, hydrogen bond
Note: T = 150 K
Locality: Mont St. Hilaire, Quebec, Canada
_database_code_amcsd 0020403
CELL PARAMETERS: 7.6888 6.8934 6.7378 90.447 94.067 102.777
SPACE GROUP: P-1
X-RAY WAVELENGTH: 1.541838
Cell Volume: 347.296
Density (g/cm3): 3.455
MAX. ABS. INTENSITY / VOLUME**2: 9.320844822
RIR: 0.878
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.84 27.14 7.4776 1 0 0 2
13.18 19.66 6.7189 0 0 1 2
15.65 1.62 5.6634 -1 1 0 2
17.07 3.09 5.1938 -1 0 1 2
18.40 6.86 4.8223 1 0 1 2
19.62 2.43 4.5235 1 1 0 2
20.14 1.40 4.4094 -1 1 1 2
23.02 5.86 3.8637 -1 -1 1 2
23.80 15.65 3.7388 2 0 0 2
24.39 1.70 3.6501 1 1 1 2
24.54 2.62 3.6277 -2 1 0 2
26.40 2.66 3.3756 -2 0 1 2
26.53 3.13 3.3604 0 2 0 2
26.53 8.66 3.3594 0 0 2 2
26.55 3.10 3.3567 -1 2 0 2
27.24 6.70 3.2743 -2 1 1 2
28.17 30.38 3.1683 2 0 1 2
28.30 49.03 3.1535 -1 0 2 2
28.65 1.90 3.1159 2 -1 1 2
29.44 17.84 3.0344 0 -1 2 2
29.82 2.71 2.9965 2 1 0 2
29.96 60.83 2.9825 1 0 2 2
30.02 1.50 2.9768 0 2 1 2
30.02 15.31 2.9763 0 1 2 2
30.44 11.72 2.9362 -1 1 2 2
31.45 4.94 2.8447 1 -1 2 2
31.52 100.00 2.8383 1 2 0 2
31.60 97.15 2.8317 -2 2 0 2
31.83 1.75 2.8114 -2 -1 1 2
32.20 1.53 2.7798 -1 -1 2 2
33.68 13.00 2.6614 -1 -2 1 2
33.91 12.02 2.6438 -2 2 1 2
34.54 25.94 2.5969 -2 0 2 2
35.52 5.62 2.5273 -3 1 0 2
36.03 32.13 2.4925 3 0 0 2
37.29 2.99 2.4112 2 0 2 2
37.39 3.15 2.4050 0 -2 2 2
37.55 1.16 2.3951 2 -1 2 2
37.71 3.19 2.3857 -1 2 2 2
38.07 19.91 2.3635 1 -2 2 2
38.34 19.12 2.3476 0 2 2 2
39.86 12.24 2.2618 2 2 0 2
39.96 13.99 2.2562 -3 2 0 2
40.26 1.18 2.2402 0 3 0 2
40.27 4.74 2.2396 0 0 3 2
40.60 2.10 2.2220 -1 -2 2 2
40.93 2.10 2.2047 -2 2 2 2
41.21 29.67 2.1908 -1 0 3 2
41.34 6.11 2.1841 3 1 0 2
41.78 2.30 2.1618 2 1 2 2
42.22 2.44 2.1403 0 -1 3 2
42.58 1.47 2.1232 -3 -1 1 2
42.86 2.66 2.1100 0 3 1 2
42.93 17.80 2.1065 3 -2 1 2
42.97 17.52 2.1049 2 2 1 2
43.57 5.41 2.0771 -3 0 2 2
44.63 1.77 2.0303 2 -3 1 2
45.64 3.92 1.9877 -2 0 3 2
46.37 1.48 1.9581 3 -1 2 2
46.98 2.24 1.9340 3 0 2 2
47.04 4.60 1.9319 -2 -2 2 2
47.37 3.91 1.9191 -3 2 2 2
47.50 2.63 1.9142 -4 1 0 2
48.03 2.34 1.8941 1 -3 2 2
48.28 1.27 1.8850 0 -3 2 2
48.29 1.74 1.8848 0 -2 3 2
48.66 1.70 1.8711 -1 2 3 2
48.71 3.08 1.8694 4 0 0 2
49.03 1.27 1.8578 -2 -1 3 2
49.11 2.07 1.8550 1 -2 3 2
49.44 3.27 1.8434 0 3 2 2
49.45 2.20 1.8432 0 2 3 2
49.64 2.12 1.8367 -4 0 1 2
49.83 5.36 1.8301 3 -2 2 2
49.97 5.33 1.8251 2 2 2 2
50.03 3.54 1.8231 -2 3 2 2
50.68 1.64 1.8013 -1 -2 3 2
50.99 2.96 1.7909 2 -3 2 2
51.07 2.24 1.7883 -2 2 3 2
51.16 1.48 1.7854 -3 -2 1 2
51.39 1.15 1.7779 -4 2 1 2
51.55 1.53 1.7728 3 1 2 2
51.70 4.48 1.7679 -1 -3 2 2
51.72 3.26 1.7673 4 0 1 2
53.04 5.02 1.7266 2 -2 3 2
53.07 4.43 1.7257 3 2 1 2
53.07 4.33 1.7256 4 -2 1 2
53.15 33.36 1.7233 -1 4 0 2
53.32 4.39 1.7180 1 2 3 2
53.74 1.56 1.7058 4 1 0 2
54.36 1.13 1.6878 -4 0 2 2
54.64 17.17 1.6797 0 0 4 2
54.90 2.78 1.6723 1 -4 1 2
54.92 2.62 1.6717 -3 3 2 2
55.12 2.24 1.6662 -1 4 1 2
55.86 15.52 1.6459 -3 -2 2 2
55.98 6.39 1.6426 -2 -2 3 2
56.18 15.86 1.6371 -4 2 2 2
56.38 5.60 1.6318 -3 2 3 2
56.65 1.31 1.6248 2 -4 1 2
57.00 1.09 1.6156 4 -1 2 2
57.09 3.66 1.6134 1 0 4 2
57.32 5.78 1.6074 3 0 3 2
58.54 3.92 1.5767 -2 0 4 2
59.32 7.64 1.5579 4 -2 2 2
59.42 7.74 1.5555 3 2 2 2
60.57 1.12 1.5286 -1 4 2 2
61.07 8.29 1.5174 0 -4 2 2
61.08 1.09 1.5172 0 -2 4 2
61.50 1.15 1.5078 -1 2 4 2
61.53 7.41 1.5070 -2 4 2 2
61.93 4.81 1.4983 4 2 0 2
62.01 1.09 1.4966 1 -2 4 2
62.04 3.88 1.4958 2 -4 2 2
62.07 5.70 1.4954 -5 2 0 2
62.28 4.22 1.4908 -4 0 3 2
62.39 4.33 1.4884 0 4 2 2
62.40 1.20 1.4882 0 2 4 2
62.56 2.49 1.4847 -4 -2 1 2
62.62 1.51 1.4834 -5 0 1 2
62.79 2.06 1.4798 -5 2 1 2
62.91 3.20 1.4774 -1 -2 4 2
63.35 2.96 1.4681 -2 2 4 2
63.72 5.43 1.4604 -3 -2 3 2
64.12 5.57 1.4523 -4 2 3 2
64.55 2.48 1.4437 -3 0 4 2
64.69 3.69 1.4409 -1 -4 2 2
64.88 12.17 1.4373 5 0 1 2
65.20 4.07 1.4309 -3 4 2 2
65.64 14.62 1.4223 2 -2 4 2
65.81 3.17 1.4191 2 4 0 2
65.98 2.91 1.4158 -4 4 0 2
65.99 14.62 1.4157 1 2 4 2
66.52 2.51 1.4057 -5 0 2 2
66.52 1.03 1.4057 -4 -2 2 2
66.58 2.73 1.4046 3 -4 2 2
66.70 1.50 1.4024 -2 -4 1 2
66.85 2.65 1.3995 1 4 2 2
67.06 1.09 1.3956 -4 4 1 2
69.07 1.51 1.3599 0 -4 3 2
69.70 1.60 1.3491 -2 4 3 2
69.81 5.06 1.3472 3 0 4 2
70.81 2.52 1.3307 -2 -4 2 2
70.85 5.42 1.3299 5 0 2 2
71.35 1.91 1.3219 -4 4 2 2
71.75 2.06 1.3154 3 -2 4 2
72.06 1.87 1.3106 2 2 4 2
72.27 1.24 1.3073 -1 -4 3 2
73.47 5.40 1.2889 -5 0 3 2
74.11 1.32 1.2793 1 -5 2 2
74.25 1.05 1.2774 -3 -2 4 2
74.71 1.76 1.2705 -4 2 4 2
74.78 1.16 1.2695 -1 5 2 2
75.48 1.06 1.2596 -3 -4 1 2
76.73 4.52 1.2421 -6 0 1 2
77.32 1.33 1.2340 3 4 1 2
77.35 1.10 1.2336 5 -4 1 2
77.74 1.03 1.2284 -4 5 0 2
78.27 1.37 1.2215 -3 0 5 2
79.36 5.98 1.2074 1 -4 4 2
79.50 1.72 1.2056 4 0 4 2
80.08 5.13 1.1983 -1 4 4 2
85.32 1.16 1.1377 -5 -2 3 2
85.73 1.30 1.1333 -6 2 3 2
86.98 3.09 1.1201 0 6 0 2
87.01 1.06 1.1198 0 0 6 2
87.02 1.98 1.1198 -1 0 6 2
87.10 2.86 1.1189 -3 6 0 2
87.27 1.52 1.1172 -3 -2 5 2
87.81 1.28 1.1117 -4 2 5 2
88.56 3.13 1.1042 4 4 1 2
88.65 3.20 1.1033 6 -4 1 2
89.46 2.47 1.0954 -2 0 6 2
89.79 1.61 1.0922 -4 -4 2 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.