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 = 575 K
Locality: Mont St. Hilaire, Quebec, Canada
_database_code_amcsd 0020405
CELL PARAMETERS: 7.7283 6.9174 6.7608 90.362 94.016 102.822
SPACE GROUP: P-1
X-RAY WAVELENGTH: 1.541838
Cell Volume: 351.464
Density (g/cm3): 3.411
MAX. ABS. INTENSITY / VOLUME**2: 8.763212721
RIR: 0.837
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.78 28.33 7.5153 1 0 0 2
13.13 1.42 6.7432 0 1 0 2
13.13 19.79 6.7425 0 0 1 2
15.58 1.78 5.6888 -1 1 0 2
17.01 3.13 5.2121 -1 0 1 2
18.31 5.43 4.8454 1 0 1 2
19.55 3.99 4.5410 1 1 0 2
20.05 1.74 4.4284 -1 1 1 2
20.79 1.34 4.2718 1 -1 1 2
22.95 9.56 3.8746 -1 -1 1 2
23.68 18.59 3.7577 2 0 0 2
24.27 2.67 3.6669 1 1 1 2
24.41 3.75 3.6462 -2 1 0 2
26.29 3.13 3.3896 -2 0 1 2
26.44 4.65 3.3716 0 2 0 2
26.44 9.04 3.3712 0 0 2 2
26.45 2.26 3.3695 -1 2 0 2
27.11 6.21 3.2894 -2 1 1 2
28.02 29.94 3.1846 2 0 1 2
28.21 50.35 3.1637 -1 0 2 2
28.51 1.08 3.1310 2 -1 1 2
29.35 18.22 3.0429 0 -1 2 2
29.68 1.74 3.0095 2 1 0 2
29.83 58.59 2.9951 1 0 2 2
29.89 1.69 2.9888 0 2 1 2
29.90 13.14 2.9887 0 1 2 2
30.32 11.21 2.9478 -1 1 2 2
31.33 4.50 2.8549 1 -1 2 2
31.41 98.12 2.8482 1 2 0 2
31.45 100.00 2.8444 -2 2 0 2
31.72 1.02 2.8213 -2 -1 1 2
32.11 2.05 2.7872 -1 -1 2 2
33.58 12.82 2.6688 -1 -2 1 2
33.75 9.69 2.6557 -2 2 1 2
34.05 1.58 2.6330 1 1 2 2
34.41 24.76 2.6061 -2 0 2 2
35.33 6.42 2.5404 -3 1 0 2
35.85 30.39 2.5051 3 0 0 2
37.11 4.01 2.4227 2 0 2 2
37.29 2.51 2.4112 0 -2 2 2
37.54 3.51 2.3957 -1 2 2 2
37.95 20.32 2.3709 1 -2 2 2
38.17 19.34 2.3576 0 2 2 2
39.70 11.76 2.2705 2 2 0 2
39.76 14.21 2.2673 -3 2 0 2
40.12 1.38 2.2477 0 3 0 2
40.12 5.27 2.2475 0 0 3 2
40.49 2.84 2.2276 -1 -2 2 2
40.75 1.54 2.2142 -2 2 2 2
41.07 27.13 2.1979 -1 0 3 2
41.14 7.84 2.1941 3 1 0 2
41.58 1.51 2.1722 2 1 2 2
42.09 2.71 2.1467 0 -1 3 2
42.40 1.62 2.1317 -3 -1 1 2
42.69 1.70 2.1181 0 3 1 2
42.72 15.88 2.1165 3 -2 1 2
42.77 16.32 2.1141 2 2 1 2
43.40 5.68 2.0852 -3 0 2 2
44.45 1.87 2.0379 2 -3 1 2
45.48 3.43 1.9943 -2 0 3 2
46.13 1.88 1.9676 3 -1 2 2
46.73 2.56 1.9437 3 0 2 2
46.90 4.69 1.9373 -2 -2 2 2
47.15 4.34 1.9276 -3 2 2 2
47.24 1.61 1.9242 -4 1 0 2
47.88 1.88 1.8998 1 -3 2 2
48.15 1.12 1.8899 0 -3 2 2
48.15 1.69 1.8898 0 -2 3 2
48.45 3.56 1.8788 4 0 0 2
48.45 1.54 1.8788 -1 2 3 2
48.88 1.44 1.8632 -2 -1 3 2
48.95 1.71 1.8608 1 -2 3 2
49.22 2.77 1.8511 0 3 2 2
49.23 2.07 1.8510 0 2 3 2
49.39 2.02 1.8452 -4 0 1 2
49.59 5.16 1.8383 3 -2 2 2
49.73 4.90 1.8334 2 2 2 2
49.80 3.12 1.8309 -2 3 2 2
50.54 1.99 1.8059 -1 -2 3 2
50.80 2.46 1.7972 2 -3 2 2
50.85 2.14 1.7956 -2 2 3 2
50.96 1.81 1.7919 -3 -2 1 2
51.12 1.20 1.7866 -4 2 1 2
51.44 2.87 1.7765 4 0 1 2
51.56 2.98 1.7725 -1 -3 2 2
52.78 4.02 1.7343 4 -2 1 2
52.81 3.89 1.7336 3 2 1 2
52.83 4.51 1.7329 2 -2 3 2
52.95 30.03 1.7293 -1 4 0 2
53.07 4.74 1.7256 1 2 3 2
53.47 1.31 1.7138 4 1 0 2
54.11 1.39 1.6948 -4 0 2 2
54.43 15.21 1.6856 0 0 4 2
54.66 2.38 1.6791 -3 3 2 2
54.71 2.60 1.6776 1 -4 1 2
54.89 2.01 1.6726 -1 4 1 2
55.67 13.09 1.6512 -3 -2 2 2
55.82 5.44 1.6470 -2 -2 3 2
55.90 14.66 1.6447 -4 2 2 2
56.13 4.84 1.6387 -3 2 3 2
56.43 1.09 1.6305 2 -4 1 2
56.85 3.70 1.6196 1 0 4 2
57.02 5.41 1.6151 3 0 3 2
58.33 3.94 1.5819 -2 0 4 2
59.00 7.07 1.5655 4 -2 2 2
59.11 6.67 1.5629 3 2 2 2
60.88 7.10 1.5215 0 -4 2 2
60.89 1.12 1.5214 0 -2 4 2
61.23 1.03 1.5138 -1 2 4 2
61.25 7.16 1.5133 -2 4 2 2
61.64 3.78 1.5048 4 2 0 2
61.71 5.12 1.5031 -5 2 0 2
61.71 1.34 1.5031 5 0 0 2
61.80 1.03 1.5013 1 -2 4 2
61.82 3.34 1.5008 2 -4 2 2
62.02 3.77 1.4965 -4 0 3 2
62.11 3.56 1.4944 0 4 2 2
62.29 1.66 1.4906 -4 -2 1 2
62.30 1.66 1.4904 -5 0 1 2
62.45 1.30 1.4872 -5 2 1 2
62.72 2.68 1.4813 -1 -2 4 2
63.07 2.84 1.4739 -2 2 4 2
63.52 4.21 1.4647 -3 -2 3 2
63.82 4.47 1.4585 -4 2 3 2
64.31 2.04 1.4485 -3 0 4 2
64.50 2.84 1.4448 -1 -4 2 2
64.50 10.13 1.4447 5 0 1 2
64.88 3.64 1.4371 -3 4 2 2
65.38 12.10 1.4274 2 -2 4 2
65.55 2.45 1.4241 2 4 0 2
65.65 2.74 1.4222 -4 4 0 2
65.67 12.10 1.4218 1 2 4 2
66.19 2.06 1.4118 -5 0 2 2
66.25 1.13 1.4106 -4 -2 2 2
66.30 2.62 1.4099 3 -4 2 2
66.46 1.12 1.4067 -2 -4 1 2
66.55 2.47 1.4052 1 4 2 2
68.87 1.16 1.3634 0 -4 3 2
69.36 1.19 1.3548 -2 4 3 2
69.45 4.37 1.3533 3 0 4 2
70.43 4.70 1.3369 5 0 2 2
70.58 2.36 1.3344 -2 -4 2 2
70.98 1.45 1.3278 -4 4 2 2
71.42 2.06 1.3207 3 -2 4 2
71.69 1.74 1.3165 2 2 4 2
73.14 4.05 1.2940 -5 0 3 2
74.00 1.16 1.2810 -3 -2 4 2
74.36 1.66 1.2757 -4 2 4 2
76.30 3.25 1.2480 -6 0 1 2
76.96 1.13 1.2390 3 4 1 2
79.05 1.54 1.2113 4 0 4 2
79.09 4.31 1.2108 1 -4 4 2
79.68 4.41 1.2033 -1 4 4 2
84.95 1.02 1.1417 -5 -2 3 2
85.25 1.09 1.1384 -6 2 3 2
86.62 2.21 1.1239 0 6 0 2
86.66 1.73 1.1235 -1 0 6 2
86.69 2.30 1.1232 -3 6 0 2
86.96 1.43 1.1203 -3 -2 5 2
87.38 1.06 1.1161 -4 2 5 2
88.10 2.35 1.1088 4 4 1 2
88.11 2.37 1.1087 6 -4 1 2
89.09 1.58 1.0990 -2 0 6 2
89.43 1.04 1.0958 -4 -4 2 2
89.86 1.15 1.0915 -6 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.