Serandite
Jacobsen S D, Smyth J R, Swope R J, Sheldon R I
American Mineralogist 85 (2000) 745-752
Two proton positions in the very strong hydrogen bond of serandite,
NaMn2[Si3O8(OH)]
Sample: X-ray
_database_code_amcsd 0002430
CELL PARAMETERS: 7.7185 6.9064 6.7624 90.492 94.085 102.775
SPACE GROUP: P-1
X-RAY WAVELENGTH: 1.541838
Cell Volume: 350.557
Density (g/cm3): 3.395
MAX. ABS. INTENSITY / VOLUME**2: 8.982636142
RIR: 0.861
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.79 23.44 7.5062 1 0 0 2
13.13 19.88 6.7431 0 0 1 2
17.00 4.06 5.2144 -1 0 1 2
18.33 4.41 4.8391 1 0 1 2
19.57 2.60 4.5360 1 1 0 2
20.08 2.55 4.4220 -1 1 1 2
20.81 1.33 4.2694 1 -1 1 2
22.94 5.52 3.8770 -1 -1 1 2
23.71 16.07 3.7531 2 0 0 2
24.45 2.84 3.6404 -2 1 0 2
26.30 2.21 3.3892 -2 0 1 2
26.44 8.68 3.3716 0 0 2 2
26.47 2.49 3.3667 0 2 0 2
26.50 2.72 3.3637 -1 2 0 2
27.14 6.40 3.2858 -2 1 1 2
28.06 30.03 3.1796 2 0 1 2
28.19 47.30 3.1656 -1 0 2 2
28.55 1.16 3.1269 2 -1 1 2
29.33 19.30 3.0454 0 -1 2 2
29.72 3.82 3.0063 2 1 0 2
29.85 60.74 2.9928 1 0 2 2
29.93 16.47 2.9850 0 1 2 2
29.96 1.19 2.9824 0 2 1 2
30.34 15.07 2.9456 -1 1 2 2
31.33 5.50 2.8548 1 -1 2 2
31.45 100.00 2.8448 1 2 0 2
31.51 95.51 2.8394 -2 2 0 2
31.71 2.59 2.8216 -2 -1 1 2
32.08 1.11 2.7903 -1 -1 2 2
33.58 11.17 2.6689 -1 -2 1 2
33.81 11.06 2.6509 -2 2 1 2
34.40 25.15 2.6072 -2 0 2 2
35.38 7.05 2.5367 -3 1 0 2
35.89 30.18 2.5021 3 0 0 2
37.16 2.99 2.4195 2 0 2 2
37.27 3.37 2.4127 0 -2 2 2
37.61 2.70 2.3916 -1 2 2 2
37.95 18.18 2.3711 1 -2 2 2
38.25 16.90 2.3531 0 2 2 2
39.74 11.16 2.2680 2 2 0 2
39.83 13.57 2.2635 -3 2 0 2
40.12 4.18 2.2477 0 0 3 2
40.46 2.17 2.2294 -1 -2 2 2
40.81 1.90 2.2110 -2 2 2 2
41.04 28.54 2.1990 -1 0 3 2
41.19 5.39 2.1917 3 1 0 2
41.65 2.32 2.1684 2 1 2 2
42.06 1.38 2.1483 0 -1 3 2
42.41 2.00 2.1311 -3 -1 1 2
42.78 2.39 2.1138 0 3 1 2
42.78 16.45 2.1136 3 -2 1 2
42.85 16.18 2.1104 2 2 1 2
43.39 5.20 2.0855 -3 0 2 2
44.51 1.92 2.0356 2 -3 1 2
45.45 4.08 1.9954 -2 0 3 2
46.19 1.07 1.9653 -2 1 3 2
46.19 1.66 1.9651 3 -1 2 2
46.81 2.61 1.9408 3 0 2 2
46.87 4.60 1.9385 -2 -2 2 2
47.21 3.16 1.9253 -3 2 2 2
47.31 2.24 1.9215 -4 1 0 2
47.89 1.64 1.8995 1 -3 2 2
48.11 1.65 1.8913 0 -2 3 2
48.14 1.46 1.8903 0 -3 2 2
48.51 2.85 1.8766 4 0 0 2
48.52 1.91 1.8763 -1 2 3 2
48.83 1.29 1.8650 -2 -1 3 2
48.93 2.19 1.8615 1 -2 3 2
49.31 2.67 1.8481 0 2 3 2
49.34 3.71 1.8471 0 3 2 2
49.43 2.18 1.8439 -4 0 1 2
49.64 5.26 1.8364 3 -2 2 2
49.83 5.40 1.8299 2 2 2 2
49.90 4.13 1.8274 -2 3 2 2
50.49 1.46 1.8078 -1 -2 3 2
50.83 3.87 1.7962 2 -3 2 2
50.91 2.50 1.7937 -2 2 3 2
50.98 1.58 1.7913 -3 -2 1 2
51.20 1.26 1.7841 -4 2 1 2
51.37 1.74 1.7785 3 1 2 2
51.52 3.29 1.7738 4 0 1 2
51.54 5.79 1.7731 -1 -3 2 2
52.84 4.20 1.7326 2 -2 3 2
52.87 3.89 1.7317 4 -2 1 2
52.90 3.69 1.7308 3 2 1 2
53.04 30.52 1.7265 -1 4 0 2
53.17 3.34 1.7226 1 2 3 2
53.53 1.72 1.7119 4 1 0 2
53.69 1.06 1.7071 1 3 2 2
54.12 1.05 1.6946 -4 0 2 2
54.43 15.96 1.6858 0 0 4 2
54.76 3.28 1.6763 -3 3 2 2
54.77 2.55 1.6760 1 -4 1 2
55.01 2.45 1.6692 -1 4 1 2
55.64 14.87 1.6518 -3 -2 2 2
55.76 5.95 1.6486 -2 -2 3 2
55.97 14.97 1.6429 -4 2 2 2
56.18 5.41 1.6372 -3 2 3 2
56.51 1.22 1.6286 2 -4 1 2
56.77 1.15 1.6215 4 -1 2 2
56.87 3.42 1.6191 1 0 4 2
57.10 4.51 1.6130 3 0 3 2
58.30 3.34 1.5828 -2 0 4 2
59.09 7.30 1.5635 4 -2 2 2
59.23 7.35 1.5600 3 2 2 2
60.89 7.53 1.5213 0 -4 2 2
61.39 5.68 1.5102 -2 4 2 2
61.71 4.45 1.5032 4 2 0 2
61.80 1.17 1.5012 5 0 0 2
61.82 5.17 1.5008 -5 2 0 2
61.86 3.23 1.4999 2 -4 2 2
62.00 4.02 1.4968 -4 0 3 2
62.20 1.14 1.4925 0 2 4 2
62.26 3.61 1.4912 0 4 2 2
62.32 1.89 1.4899 -4 -2 1 2
62.35 1.59 1.4893 -5 0 1 2
62.54 1.53 1.4852 -5 2 1 2
62.65 2.98 1.4829 -1 -2 4 2
63.13 2.58 1.4728 -2 2 4 2
63.46 4.76 1.4658 -3 -2 3 2
63.87 4.93 1.4574 -4 2 3 2
64.27 2.01 1.4493 -3 0 4 2
64.50 3.34 1.4448 -1 -4 2 2
64.61 10.38 1.4426 5 0 1 2
65.03 3.62 1.4343 -3 4 2 2
65.38 13.58 1.4274 2 -2 4 2
65.64 2.80 1.4224 2 4 0 2
65.78 13.25 1.4197 1 2 4 2
65.78 2.50 1.4197 -4 4 0 2
66.22 2.46 1.4113 -5 0 2 2
66.25 1.10 1.4108 -4 -2 2 2
66.36 2.41 1.4086 3 -4 2 2
66.51 1.15 1.4059 -2 -4 1 2
66.70 2.20 1.4023 1 4 2 2
68.84 1.28 1.3638 0 -4 3 2
69.52 1.61 1.3522 -2 4 3 2
69.54 5.01 1.3519 3 0 4 2
70.56 5.45 1.3347 5 0 2 2
70.58 2.37 1.3344 -2 -4 2 2
71.13 1.54 1.3255 -4 4 2 2
71.46 1.85 1.3201 3 -2 4 2
71.82 1.64 1.3144 2 2 4 2
72.02 1.21 1.3112 -1 -4 3 2
73.13 4.63 1.2940 -5 0 3 2
73.18 1.04 1.2934 -3 5 1 2
73.90 1.91 1.2824 1 -5 2 2
73.92 1.02 1.2822 -3 -2 4 2
74.26 1.01 1.2771 1 5 0 2
74.40 1.55 1.2750 -4 2 4 2
74.63 1.52 1.2718 -1 5 2 2
74.86 1.01 1.2684 -2 5 2 2
76.38 3.96 1.2469 -6 0 1 2
77.07 1.11 1.2374 5 -4 1 2
77.10 1.19 1.2370 3 4 1 2
77.52 1.35 1.2314 -4 5 0 2
77.91 1.42 1.2262 -3 0 5 2
79.06 5.56 1.2113 1 -4 4 2
79.17 1.44 1.2098 4 0 4 2
79.86 4.12 1.2011 -1 4 4 2
84.92 1.00 1.1420 -5 -2 3 2
85.33 1.19 1.1375 -6 2 3 2
86.62 1.66 1.1239 -1 0 6 2
86.62 1.05 1.1239 0 0 6 2
86.78 2.45 1.1222 0 6 0 2
86.85 1.30 1.1215 -3 -2 5 2
86.87 2.24 1.1212 -3 6 0 2
87.42 1.10 1.1157 -4 2 5 2
88.27 2.31 1.1071 4 4 1 2
88.28 2.56 1.1070 6 -4 1 2
88.63 1.06 1.1035 2 5 2 2
89.04 2.08 1.0995 -2 0 6 2
89.44 1.50 1.0956 -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.