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 = 800 K
Locality: Mont St. Hilaire, Quebec, Canada
_database_code_amcsd 0020406
CELL PARAMETERS: 7.7513 6.9384 6.7761 90.307 94.019 102.858
SPACE GROUP: P-1
X-RAY WAVELENGTH: 1.541838
Cell Volume: 354.335
Density (g/cm3): 3.383
MAX. ABS. INTENSITY / VOLUME**2: 8.618450667
RIR: 0.829
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.74 26.88 7.5367 1 0 0 2
13.10 21.70 6.7579 0 0 1 2
15.53 1.28 5.7072 -1 1 0 2
16.97 3.23 5.2249 -1 0 1 2
18.26 5.70 4.8580 1 0 1 2
19.50 2.65 4.5531 1 1 0 2
19.99 2.41 4.4425 -1 1 1 2
20.74 1.50 4.2825 1 -1 1 2
22.90 8.10 3.8831 -1 -1 1 2
23.61 17.33 3.7684 2 0 0 2
24.20 1.46 3.6773 1 1 1 2
24.33 2.31 3.6576 -2 1 0 2
26.22 3.40 3.3986 -2 0 1 2
26.36 4.39 3.3814 0 2 0 2
26.37 2.62 3.3801 -1 2 0 2
26.38 8.91 3.3789 0 0 2 2
27.02 5.58 3.2997 -2 1 1 2
27.94 29.68 3.1934 2 0 1 2
28.14 49.79 3.1710 -1 0 2 2
28.43 1.37 3.1397 2 -1 1 2
29.29 20.17 3.0490 0 -1 2 2
29.60 2.79 3.0176 2 1 0 2
29.76 60.59 3.0024 1 0 2 2
29.80 1.63 2.9982 0 2 1 2
29.81 11.98 2.9969 0 1 2 2
30.23 11.91 2.9561 -1 1 2 2
31.26 4.75 2.8613 1 -1 2 2
31.32 97.56 2.8560 1 2 0 2
31.35 100.00 2.8536 -2 2 0 2
31.64 2.05 2.8280 -2 -1 1 2
32.05 1.13 2.7929 -1 -1 2 2
33.50 12.38 2.6751 -1 -2 1 2
33.63 9.94 2.6646 -2 2 1 2
33.95 1.29 2.6402 1 1 2 2
34.33 23.19 2.6124 -2 0 2 2
35.22 5.87 2.5482 -3 1 0 2
35.74 31.16 2.5122 3 0 0 2
37.01 3.55 2.4290 2 0 2 2
37.21 2.56 2.4163 0 -2 2 2
37.42 3.22 2.4032 -1 2 2 2
37.86 18.60 2.3764 1 -2 2 2
38.05 18.02 2.3648 0 2 2 2
39.59 10.96 2.2765 2 2 0 2
39.62 13.28 2.2745 -3 2 0 2
40.03 5.23 2.2526 0 0 3 2
40.41 2.47 2.2323 -1 -2 2 2
40.62 1.06 2.2212 -2 2 2 2
40.97 26.65 2.2029 -1 0 3 2
41.03 5.24 2.2000 3 1 0 2
41.46 2.00 2.1781 2 1 2 2
42.00 2.09 2.1511 0 -1 3 2
42.29 2.31 2.1371 -3 -1 1 2
42.55 1.68 2.1247 0 3 1 2
42.57 1.00 2.1235 0 1 3 2
42.59 15.64 2.1228 3 -2 1 2
42.65 16.30 2.1201 2 2 1 2
43.28 5.09 2.0906 -3 0 2 2
44.32 2.26 2.0438 2 -3 1 2
45.37 3.63 1.9989 -2 0 3 2
46.00 1.65 1.9728 3 -1 2 2
46.60 2.46 1.9490 3 0 2 2
46.79 4.57 1.9415 -2 -2 2 2
46.99 4.56 1.9337 -3 2 2 2
47.09 2.05 1.9300 -4 1 0 2
47.76 1.19 1.9043 1 -3 2 2
48.03 1.37 1.8942 0 -3 2 2
48.05 1.90 1.8936 0 -2 3 2
48.30 1.59 1.8843 -1 2 3 2
48.30 2.85 1.8842 4 0 0 2
48.77 1.40 1.8672 -2 -1 3 2
48.84 1.83 1.8648 1 -2 3 2
49.06 3.07 1.8569 0 3 2 2
49.07 2.28 1.8564 0 2 3 2
49.25 1.91 1.8503 -4 0 1 2
49.45 5.34 1.8432 3 -2 2 2
49.58 5.33 1.8387 2 2 2 2
49.63 2.47 1.8369 -2 3 2 2
50.43 2.03 1.8095 -1 -2 3 2
50.66 2.48 1.8019 2 -3 2 2
50.69 2.14 1.8010 -2 2 3 2
50.83 2.14 1.7963 -3 -2 1 2
50.95 1.18 1.7923 -4 2 1 2
51.28 2.95 1.7816 4 0 1 2
51.44 3.65 1.7765 -1 -3 2 2
52.61 3.86 1.7395 4 -2 1 2
52.65 3.85 1.7384 3 2 1 2
52.70 4.29 1.7370 2 -2 3 2
52.78 28.59 1.7346 -1 4 0 2
52.91 4.23 1.7305 1 2 3 2
53.31 1.27 1.7185 4 1 0 2
53.96 1.28 1.6993 -4 0 2 2
54.30 14.42 1.6895 0 0 4 2
54.46 3.01 1.6847 -3 3 2 2
54.55 2.32 1.6823 1 -4 1 2
54.70 2.13 1.6780 -1 4 1 2
55.53 12.21 1.6550 -3 -2 2 2
55.69 5.53 1.6504 -2 -2 3 2
55.71 13.20 1.6498 -4 2 2 2
55.94 4.93 1.6436 -3 2 3 2
56.26 1.14 1.6352 2 -4 1 2
56.70 3.51 1.6234 1 0 4 2
56.86 4.90 1.6193 3 0 3 2
58.19 3.41 1.5855 -2 0 4 2
58.82 6.48 1.5698 4 -2 2 2
58.93 6.11 1.5673 3 2 2 2
60.72 6.53 1.5252 0 -4 2 2
61.02 6.67 1.5184 -2 4 2 2
61.45 4.02 1.5088 4 2 0 2
61.50 5.19 1.5077 -5 2 0 2
61.52 1.02 1.5073 5 0 0 2
61.64 3.24 1.5048 2 -4 2 2
61.84 3.89 1.5002 -4 0 3 2
61.89 3.41 1.4991 0 4 2 2
62.10 1.81 1.4946 -5 0 1 2
62.11 1.67 1.4943 -4 -2 1 2
62.23 1.44 1.4918 -5 2 1 2
62.58 2.57 1.4843 -1 -2 4 2
62.88 2.85 1.4781 -2 2 4 2
63.36 3.93 1.4679 -3 -2 3 2
63.60 4.41 1.4629 -4 2 3 2
64.14 2.02 1.4520 -3 0 4 2
64.29 9.31 1.4489 5 0 1 2
64.33 2.69 1.4482 -1 -4 2 2
64.64 3.07 1.4419 -3 4 2 2
65.21 10.96 1.4306 2 -2 4 2
65.35 2.37 1.4280 2 4 0 2
65.41 2.82 1.4268 -4 4 0 2
65.47 11.08 1.4257 1 2 4 2
65.99 1.94 1.4156 -5 0 2 2
66.09 2.20 1.4138 3 -4 2 2
66.27 1.01 1.4103 -2 -4 1 2
66.32 2.17 1.4095 1 4 2 2
68.69 1.20 1.3664 0 -4 3 2
69.11 1.24 1.3592 -2 4 3 2
69.25 4.06 1.3568 3 0 4 2
70.21 4.29 1.3406 5 0 2 2
70.39 1.80 1.3375 -2 -4 2 2
70.71 1.18 1.3323 -4 4 2 2
71.23 1.87 1.3239 3 -2 4 2
71.46 1.67 1.3201 2 2 4 2
72.91 3.70 1.2974 -5 0 3 2
74.11 1.28 1.2794 -4 2 4 2
76.05 3.15 1.2515 -6 0 1 2
76.70 1.15 1.2425 3 4 1 2
78.81 1.29 1.2145 4 0 4 2
78.88 3.76 1.2135 1 -4 4 2
79.38 4.04 1.2071 -1 4 4 2
84.70 1.01 1.1444 -5 -2 3 2
84.94 1.03 1.1418 -6 2 3 2
86.31 1.86 1.1271 0 6 0 2
86.35 2.13 1.1267 -3 6 0 2
86.41 1.57 1.1260 -1 0 6 2
86.74 1.38 1.1226 -3 -2 5 2
87.08 1.01 1.1191 -4 2 5 2
87.77 2.10 1.1121 6 -4 1 2
87.80 2.07 1.1118 4 4 1 2
88.84 1.35 1.1015 -2 0 6 2
89.15 1.02 1.0984 -4 -4 2 2
89.49 1.04 1.0951 -6 4 2 2
89.92 1.06 1.0910 5 -2 4 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.