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 = 298 K
Locality: Mont St. Hilaire, Quebec, Canada
_database_code_amcsd 0020404
CELL PARAMETERS: 7.7024 6.9003 6.7447 90.416 94.044 102.801
SPACE GROUP: P-1
X-RAY WAVELENGTH: 1.541838
Cell Volume: 348.599
Density (g/cm3): 3.441
MAX. ABS. INTENSITY / VOLUME**2: 9.037310188
RIR: 0.855
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.81 29.64 7.4904 1 0 0 2
13.16 19.55 6.7260 0 0 1 2
15.62 1.81 5.6718 -1 1 0 2
17.05 2.27 5.1994 -1 0 1 2
18.37 6.68 4.8301 1 0 1 2
19.60 3.49 4.5287 1 1 0 2
20.85 1.07 4.2607 1 -1 1 2
23.00 7.45 3.8666 -1 -1 1 2
23.76 15.95 3.7452 2 0 0 2
24.35 2.38 3.6554 1 1 1 2
24.49 3.53 3.6341 -2 1 0 2
26.37 2.86 3.3802 -2 0 1 2
26.50 2.70 3.3635 0 2 0 2
26.50 9.84 3.3630 0 0 2 2
26.52 3.18 3.3606 -1 2 0 2
27.19 6.00 3.2793 -2 1 1 2
28.11 28.91 3.1739 2 0 1 2
28.27 48.43 3.1565 -1 0 2 2
29.41 19.46 3.0368 0 -1 2 2
29.77 1.49 3.0006 2 1 0 2
29.92 59.66 2.9865 1 0 2 2
29.98 1.23 2.9804 0 2 1 2
29.98 14.34 2.9801 0 1 2 2
30.41 11.57 2.9398 -1 1 2 2
31.41 4.62 2.8479 1 -1 2 2
31.49 100.00 2.8411 1 2 0 2
31.55 98.25 2.8359 -2 2 0 2
31.80 1.03 2.8143 -2 -1 1 2
32.18 2.29 2.7818 -1 -1 2 2
33.65 11.63 2.6633 -1 -2 1 2
33.86 10.29 2.6477 -2 2 1 2
34.16 1.60 2.6250 1 1 2 2
34.50 25.82 2.5997 -2 0 2 2
35.45 6.26 2.5319 -3 1 0 2
35.97 31.13 2.4968 3 0 0 2
37.23 3.40 2.4150 2 0 2 2
37.37 3.36 2.4067 0 -2 2 2
37.66 3.23 2.3888 -1 2 2 2
38.04 19.61 2.3657 1 -2 2 2
38.29 18.49 2.3507 0 2 2 2
39.81 12.99 2.2644 2 2 0 2
39.89 13.78 2.2600 -3 2 0 2
40.22 1.50 2.2423 0 3 0 2
40.22 4.40 2.2420 0 0 3 2
40.57 2.22 2.2235 -1 -2 2 2
40.88 2.26 2.2077 -2 2 2 2
41.16 27.66 2.1929 -1 0 3 2
41.27 7.83 2.1873 3 1 0 2
41.72 1.82 2.1652 2 1 2 2
42.19 2.78 2.1422 0 -1 3 2
42.52 1.41 2.1259 -3 -1 1 2
42.81 2.81 2.1124 0 3 1 2
42.86 16.76 2.1100 3 -2 1 2
42.91 16.18 2.1078 2 2 1 2
43.52 5.90 2.0797 -3 0 2 2
44.58 1.51 2.0327 2 -3 1 2
45.59 3.62 1.9896 -2 0 3 2
46.29 2.31 1.9613 3 -1 2 2
46.90 2.54 1.9373 3 0 2 2
47.00 4.78 1.9333 -2 -2 2 2
47.30 3.99 1.9219 -3 2 2 2
47.41 1.79 1.9177 -4 1 0 2
47.99 2.01 1.8957 1 -3 2 2
48.25 1.65 1.8862 0 -3 2 2
48.25 1.35 1.8861 0 -2 3 2
48.45 1.01 1.8787 -4 1 1 2
48.60 1.42 1.8735 -1 2 3 2
48.62 3.31 1.8726 4 0 0 2
48.99 1.62 1.8593 -2 -1 3 2
49.06 1.80 1.8568 1 -2 3 2
49.38 3.04 1.8457 0 3 2 2
49.38 2.12 1.8456 0 2 3 2
49.55 1.54 1.8395 -4 0 1 2
49.75 5.01 1.8329 3 -2 2 2
49.90 4.87 1.8277 2 2 2 2
49.96 4.12 1.8255 -2 3 2 2
50.64 1.48 1.8025 -1 -2 3 2
50.93 3.20 1.7929 2 -3 2 2
51.00 1.89 1.7906 -2 2 3 2
51.10 1.05 1.7873 -3 -2 1 2
51.46 1.07 1.7757 3 1 2 2
51.63 2.60 1.7705 4 0 1 2
51.67 3.74 1.7691 -1 -3 2 2
52.97 3.95 1.7287 4 -2 1 2
52.97 4.45 1.7286 2 -2 3 2
52.98 3.75 1.7282 3 2 1 2
53.09 32.29 1.7250 -1 4 0 2
53.25 4.08 1.7204 1 2 3 2
53.65 1.61 1.7084 4 1 0 2
54.28 1.14 1.6901 -4 0 2 2
54.58 16.54 1.6815 0 0 4 2
54.84 1.99 1.6741 -3 3 2 2
54.85 2.27 1.6738 1 -4 1 2
55.05 2.02 1.6681 -1 4 1 2
55.80 15.50 1.6474 -3 -2 2 2
55.94 4.73 1.6437 -2 -2 3 2
56.09 15.08 1.6397 -4 2 2 2
56.30 4.69 1.6340 -3 2 3 2
56.58 1.12 1.6265 2 -4 1 2
57.01 3.51 1.6153 1 0 4 2
57.22 5.21 1.6100 3 0 3 2
58.48 4.06 1.5782 -2 0 4 2
59.21 7.49 1.5606 4 -2 2 2
59.32 7.80 1.5579 3 2 2 2
60.49 1.14 1.5305 -1 4 2 2
61.02 7.81 1.5185 0 -4 2 2
61.42 1.03 1.5096 -1 2 4 2
61.45 7.10 1.5090 -2 4 2 2
61.84 4.67 1.5003 4 2 0 2
61.94 1.15 1.4981 5 0 0 2
61.94 5.29 1.4980 -5 2 0 2
61.98 3.78 1.4973 2 -4 2 2
62.20 3.44 1.4926 -4 0 3 2
62.31 3.83 1.4902 0 4 2 2
62.31 1.21 1.4901 0 2 4 2
62.48 2.04 1.4865 -4 -2 1 2
62.51 1.27 1.4858 -5 0 1 2
62.67 1.71 1.4823 -5 2 1 2
62.86 3.27 1.4784 -1 -2 4 2
63.27 2.94 1.4699 -2 2 4 2
63.67 4.55 1.4616 -3 -2 3 2
64.02 4.88 1.4543 -4 2 3 2
64.48 2.30 1.4451 -3 0 4 2
64.64 3.80 1.4419 -1 -4 2 2
64.75 10.52 1.4398 5 0 1 2
65.10 3.64 1.4329 -3 4 2 2
65.56 13.49 1.4239 2 -2 4 2
65.74 2.97 1.4205 2 4 0 2
65.87 2.60 1.4180 -4 4 0 2
65.89 13.18 1.4176 1 2 4 2
66.41 2.18 1.4077 -5 0 2 2
66.44 1.24 1.4072 -4 -2 2 2
66.49 2.61 1.4063 3 -4 2 2
66.63 1.16 1.4035 -2 -4 1 2
66.72 1.08 1.4019 -5 2 2 2
66.76 2.75 1.4012 1 4 2 2
69.02 1.12 1.3608 0 -4 3 2
69.59 1.34 1.3509 -2 4 3 2
69.69 4.70 1.3492 3 0 4 2
70.71 5.25 1.3323 5 0 2 2
70.75 2.45 1.3317 -2 -4 2 2
71.23 2.10 1.3238 -4 4 2 2
71.65 1.75 1.3172 3 -2 4 2
71.94 1.77 1.3125 2 2 4 2
73.37 4.53 1.2905 -5 0 3 2
74.04 1.19 1.2804 1 -5 2 2
74.18 1.31 1.2783 -3 -2 4 2
74.60 1.95 1.2722 -4 2 4 2
76.59 3.67 1.2441 -6 0 1 2
78.18 1.10 1.2226 -3 0 5 2
79.28 5.35 1.2084 1 -4 4 2
79.35 1.48 1.2075 4 0 4 2
79.96 4.70 1.1998 -1 4 4 2
86.88 2.84 1.1212 0 6 0 2
86.91 1.64 1.1209 -1 0 6 2
86.97 2.61 1.1202 -3 6 0 2
87.19 1.01 1.1180 -3 -2 5 2
88.42 2.49 1.1056 4 4 1 2
88.46 2.61 1.1052 6 -4 1 2
89.35 2.00 1.0964 -2 0 6 2
89.69 1.42 1.0932 -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.