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 = 4 K
Locality: Mont St. Hilaire, Quebec, Canada
_database_code_amcsd 0020402
CELL PARAMETERS: 7.6844 6.8913 6.7349 90.458 94.080 102.777
SPACE GROUP: P-1
X-RAY WAVELENGTH: 1.541838
Cell Volume: 346.835
Density (g/cm3): 3.459
MAX. ABS. INTENSITY / VOLUME**2: 9.370608918
RIR: 0.882
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.84 28.46 7.4731 1 0 0 2
13.18 21.01 6.7159 0 0 1 2
15.65 2.31 5.6610 -1 1 0 2
17.08 3.90 5.1919 -1 0 1 2
18.41 6.00 4.8192 1 0 1 2
19.63 2.36 4.5215 1 1 0 2
20.15 1.07 4.4075 -1 1 1 2
23.03 5.83 3.8626 -1 -1 1 2
23.81 15.63 3.7366 2 0 0 2
24.40 1.40 3.6479 1 1 1 2
24.55 2.99 3.6258 -2 1 0 2
26.41 2.91 3.3742 -2 0 1 2
26.53 3.21 3.3593 0 2 0 2
26.54 8.58 3.3579 0 0 2 2
26.56 2.85 3.3556 -1 2 0 2
27.25 6.69 3.2728 -2 1 1 2
28.18 30.39 3.1662 2 0 1 2
28.31 48.12 3.1523 -1 0 2 2
28.67 1.73 3.1141 2 -1 1 2
29.45 18.18 3.0334 0 -1 2 2
29.83 3.24 2.9950 2 1 0 2
29.88 1.05 2.9908 1 -2 1 2
29.98 58.58 2.9807 1 0 2 2
30.03 1.07 2.9755 0 2 1 2
30.04 16.30 2.9748 0 1 2 2
30.46 11.48 2.9349 -1 1 2 2
31.46 4.74 2.8434 1 -1 2 2
31.53 100.00 2.8372 1 2 0 2
31.61 94.97 2.8305 -2 2 0 2
31.84 1.80 2.8103 -2 -1 1 2
32.21 1.65 2.7791 -1 -1 2 2
33.69 11.46 2.6607 -1 -2 1 2
33.92 12.59 2.6427 -2 2 1 2
34.55 25.31 2.5960 -2 0 2 2
35.54 5.64 2.5259 -3 1 0 2
36.06 30.77 2.4910 3 0 0 2
37.32 3.45 2.4096 2 0 2 2
37.40 2.79 2.4044 0 -2 2 2
37.57 1.34 2.3938 2 -1 2 2
37.72 3.14 2.3846 -1 2 2 2
38.09 20.65 2.3627 1 -2 2 2
38.36 18.72 2.3465 0 2 2 2
39.88 12.03 2.2608 2 2 0 2
39.98 14.56 2.2551 -3 2 0 2
40.27 1.14 2.2396 0 3 0 2
40.29 4.19 2.2386 0 0 3 2
40.61 2.29 2.2215 -1 -2 2 2
40.95 2.07 2.2038 -2 2 2 2
41.22 29.56 2.1900 -1 0 3 2
41.36 6.28 2.1829 3 1 0 2
41.81 2.22 2.1604 2 1 2 2
42.24 2.58 2.1395 0 -1 3 2
42.60 1.56 2.1223 -3 -1 1 2
42.88 3.23 2.1092 0 3 1 2
42.96 16.97 2.1054 3 -2 1 2
42.99 16.55 2.1038 2 2 1 2
43.59 5.60 2.0763 -3 0 2 2
44.65 1.55 2.0296 2 -3 1 2
45.66 4.31 1.9870 -2 0 3 2
46.40 1.34 1.9569 3 -1 2 2
47.02 2.53 1.9327 3 0 2 2
47.05 4.61 1.9313 -2 -2 2 2
47.39 3.37 1.9182 -3 2 2 2
47.53 2.94 1.9131 -4 1 0 2
48.05 2.40 1.8936 1 -3 2 2
48.29 1.38 1.8845 0 -3 2 2
48.30 1.62 1.8842 0 -2 3 2
48.69 2.07 1.8702 -1 2 3 2
48.74 3.26 1.8683 4 0 0 2
49.05 1.13 1.8572 -2 -1 3 2
49.13 1.81 1.8544 1 -2 3 2
49.47 3.21 1.8426 0 3 2 2
49.48 2.28 1.8423 0 2 3 2
49.66 2.46 1.8357 -4 0 1 2
49.85 4.70 1.8292 3 -2 2 2
50.01 5.20 1.8240 2 2 2 2
50.05 3.75 1.8223 -2 3 2 2
50.69 1.55 1.8009 -1 -2 3 2
51.01 2.97 1.7903 2 -3 2 2
51.10 1.98 1.7875 -2 2 3 2
51.18 1.55 1.7847 -3 -2 1 2
51.42 1.06 1.7770 -4 2 1 2
51.59 1.73 1.7717 3 1 2 2
51.72 4.91 1.7675 -1 -3 2 2
51.76 2.95 1.7662 4 0 1 2
53.06 4.71 1.7258 2 -2 3 2
53.10 4.05 1.7247 3 2 1 2
53.10 4.62 1.7247 4 -2 1 2
53.17 33.22 1.7228 -1 4 0 2
53.36 3.67 1.7170 1 2 3 2
53.77 1.47 1.7048 4 1 0 2
54.67 17.16 1.6790 0 0 4 2
54.92 2.32 1.6719 1 -4 1 2
54.95 2.18 1.6710 -3 3 2 2
55.14 2.62 1.6656 -1 4 1 2
55.88 15.43 1.6454 -3 -2 2 2
56.00 6.06 1.6421 -2 -2 3 2
56.21 15.64 1.6364 -4 2 2 2
56.41 5.55 1.6312 -3 2 3 2
56.67 1.10 1.6243 2 -4 1 2
57.12 3.64 1.6125 1 0 4 2
57.36 4.96 1.6064 3 0 3 2
58.56 3.74 1.5762 -2 0 4 2
59.35 7.92 1.5571 4 -2 2 2
59.46 8.09 1.5546 3 2 2 2
60.60 1.11 1.5280 -1 4 2 2
61.08 8.76 1.5171 0 -4 2 2
61.10 1.03 1.5167 0 -2 4 2
61.53 1.01 1.5071 -1 2 4 2
61.56 6.91 1.5064 -2 4 2 2
61.97 4.64 1.4975 4 2 0 2
62.04 1.24 1.4960 1 -2 4 2
62.07 3.44 1.4954 2 -4 2 2
62.10 1.11 1.4946 5 0 0 2
62.11 5.01 1.4945 -5 2 0 2
62.30 4.27 1.4903 -4 0 3 2
62.42 4.47 1.4878 0 4 2 2
62.44 1.31 1.4874 0 2 4 2
62.59 2.13 1.4841 -4 -2 1 2
62.66 1.50 1.4826 -5 0 1 2
62.83 1.92 1.4790 -5 2 1 2
62.93 3.20 1.4770 -1 -2 4 2
63.38 2.74 1.4675 -2 2 4 2
63.74 5.24 1.4600 -3 -2 3 2
64.15 5.96 1.4517 -4 2 3 2
64.58 2.23 1.4432 -3 0 4 2
64.71 3.54 1.4406 -1 -4 2 2
64.92 11.84 1.4363 5 0 1 2
65.23 4.01 1.4303 -3 4 2 2
65.67 14.41 1.4217 2 -2 4 2
65.84 3.22 1.4186 2 4 0 2
66.01 2.52 1.4153 -4 4 0 2
66.03 14.59 1.4149 1 2 4 2
66.55 1.19 1.4052 -4 -2 2 2
66.55 2.33 1.4051 -5 0 2 2
66.61 3.00 1.4041 3 -4 2 2
66.72 1.16 1.4019 -2 -4 1 2
66.89 2.69 1.3988 1 4 2 2
67.09 1.12 1.3950 -4 4 1 2
69.09 1.23 1.3595 0 -4 3 2
69.73 1.60 1.3486 -2 4 3 2
69.86 4.99 1.3464 3 0 4 2
70.83 2.83 1.3303 -2 -4 2 2
70.91 5.57 1.3291 5 0 2 2
71.39 1.97 1.3213 -4 4 2 2
71.80 2.10 1.3148 3 -2 4 2
72.11 1.84 1.3098 2 2 4 2
72.29 1.18 1.3070 -1 -4 3 2
72.98 1.17 1.2964 -3 4 3 2
73.39 1.06 1.2901 -3 5 1 2
73.51 5.32 1.2883 -5 0 3 2
74.13 1.48 1.2790 1 -5 2 2
74.27 1.05 1.2770 -3 -2 4 2
74.75 1.69 1.2700 -4 2 4 2
74.82 1.31 1.2690 -1 5 2 2
75.51 1.14 1.2591 -3 -4 1 2
76.78 4.29 1.2414 -6 0 1 2
77.37 1.14 1.2334 3 4 1 2
77.78 1.03 1.2279 -4 5 0 2
78.30 1.37 1.2210 -3 0 5 2
79.38 6.06 1.2071 1 -4 4 2
79.56 1.75 1.2048 4 0 4 2
80.13 5.03 1.1977 -1 4 4 2
85.35 1.19 1.1373 -5 -2 3 2
85.78 1.36 1.1327 -6 2 3 2
87.02 3.17 1.1198 0 6 0 2
87.06 1.08 1.1193 0 0 6 2
87.06 1.81 1.1193 -1 0 6 2
87.14 2.74 1.1185 -3 6 0 2
87.30 1.47 1.1169 -3 -2 5 2
87.85 1.23 1.1113 -4 2 5 2
88.62 2.85 1.1036 4 4 1 2
88.70 3.37 1.1028 6 -4 1 2
88.92 1.01 1.1007 2 5 2 2
89.51 2.28 1.0950 -2 0 6 2
89.83 1.55 1.0919 -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.