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: neutron
_database_code_amcsd 0002431
CELL PARAMETERS: 7.7163 6.9116 6.7368 90.465 94.037 102.844
SPACE GROUP: P-1
X-RAY WAVELENGTH: 1.541838
Cell Volume: 349.324
Density (g/cm3): 3.403
MAX. ABS. INTENSITY / VOLUME**2: 8.912469238
RIR: 0.853
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.80 24.60 7.5026 1 0 0 2
13.18 19.96 6.7181 0 0 1 2
17.05 4.00 5.1999 -1 0 1 2
18.37 4.43 4.8302 1 0 1 2
19.58 2.49 4.5341 1 1 0 2
20.10 2.43 4.4169 -1 1 1 2
20.83 1.28 4.2650 1 -1 1 2
22.98 5.43 3.8697 -1 -1 1 2
23.72 15.57 3.7513 2 0 0 2
24.44 2.46 3.6414 -2 1 0 2
26.34 2.32 3.3837 -2 0 1 2
26.46 2.25 3.3683 0 2 0 2
26.47 2.99 3.3667 -1 2 0 2
26.54 8.14 3.3590 0 0 2 2
27.16 6.80 3.2831 -2 1 1 2
28.09 30.00 3.1767 2 0 1 2
28.29 46.67 3.1542 -1 0 2 2
28.56 1.10 3.1255 2 -1 1 2
29.42 20.30 3.0358 0 -1 2 2
29.74 4.25 3.0045 2 1 0 2
29.94 61.21 2.9845 1 0 2 2
29.97 1.13 2.9820 0 2 1 2
30.01 16.47 2.9772 0 1 2 2
30.43 14.67 2.9378 -1 1 2 2
31.41 5.53 2.8478 1 -1 2 2
31.45 100.00 2.8445 1 2 0 2
31.48 97.04 2.8417 -2 2 0 2
31.76 2.66 2.8174 -2 -1 1 2
33.61 10.92 2.6665 -1 -2 1 2
33.81 11.45 2.6511 -2 2 1 2
34.50 25.01 2.5999 -2 0 2 2
35.38 7.08 2.5367 -3 1 0 2
35.91 30.95 2.5009 3 0 0 2
37.23 2.84 2.4151 2 0 2 2
37.34 3.43 2.4081 0 -2 2 2
37.66 2.69 2.3885 -1 2 2 2
38.01 17.97 2.3675 1 -2 2 2
38.30 17.19 2.3499 0 2 2 2
39.76 11.80 2.2671 2 2 0 2
39.80 13.13 2.2647 -3 2 0 2
40.27 3.80 2.2394 0 0 3 2
40.55 2.05 2.2249 -1 -2 2 2
40.86 1.78 2.2085 -2 2 2 2
41.21 28.81 2.1907 -1 0 3 2
41.22 5.36 2.1903 3 1 0 2
41.72 2.47 2.1651 2 1 2 2
42.21 1.24 2.1407 0 -1 3 2
42.47 2.13 2.1286 -3 -1 1 2
42.77 2.53 2.1143 0 3 1 2
42.78 17.18 2.1139 3 -2 1 2
42.87 16.24 2.1093 2 2 1 2
43.48 5.16 2.0811 -3 0 2 2
44.49 1.98 2.0365 2 -3 1 2
45.62 4.37 1.9887 -2 0 3 2
46.25 1.65 1.9630 3 -1 2 2
46.34 1.22 1.9595 -2 1 3 2
46.87 2.73 1.9384 3 0 2 2
46.96 4.27 1.9348 -2 -2 2 2
47.26 3.32 1.9234 -3 2 2 2
47.31 2.57 1.9212 -4 1 0 2
47.93 1.44 1.8980 1 -3 2 2
48.19 1.65 1.8883 0 -3 2 2
48.25 1.85 1.8862 0 -2 3 2
48.54 2.87 1.8756 4 0 0 2
48.63 1.87 1.8722 -1 2 3 2
49.00 1.12 1.8591 -2 -1 3 2
49.06 2.14 1.8570 1 -2 3 2
49.37 3.86 1.8461 0 3 2 2
49.42 2.57 1.8442 0 2 3 2
49.48 2.24 1.8422 -4 0 1 2
49.68 5.32 1.8352 3 -2 2 2
49.89 5.36 1.8280 2 2 2 2
49.93 4.06 1.8267 -2 3 2 2
50.64 1.41 1.8027 -1 -2 3 2
50.86 4.02 1.7954 2 -3 2 2
51.02 2.25 1.7900 -2 2 3 2
51.04 1.48 1.7895 -3 -2 1 2
51.21 1.20 1.7840 -4 2 1 2
51.44 1.81 1.7765 3 1 2 2
51.55 3.13 1.7729 4 0 1 2
51.61 5.96 1.7709 -1 -3 2 2
52.86 3.96 1.7318 4 -2 1 2
52.93 3.76 1.7298 3 2 1 2
52.95 4.11 1.7293 2 -2 3 2
53.00 31.51 1.7278 -1 4 0 2
53.28 3.37 1.7193 1 2 3 2
53.57 1.62 1.7108 4 1 0 2
53.73 1.06 1.7060 1 3 2 2
54.65 16.51 1.6795 0 0 4 2
54.75 2.41 1.6766 1 -4 1 2
54.78 3.46 1.6758 -3 3 2 2
54.98 2.58 1.6702 -1 4 1 2
55.75 15.38 1.6490 -3 -2 2 2
55.92 5.73 1.6443 -2 -2 3 2
56.02 15.31 1.6416 -4 2 2 2
56.29 5.42 1.6342 -3 2 3 2
56.47 1.18 1.6295 2 -4 1 2
56.82 1.17 1.6203 4 -1 2 2
57.08 3.37 1.6137 1 0 4 2
57.22 4.44 1.6101 3 0 3 2
58.53 3.30 1.5771 -2 0 4 2
59.12 7.26 1.5627 4 -2 2 2
59.29 7.59 1.5586 3 2 2 2
60.93 7.30 1.5205 0 -4 2 2
61.39 6.06 1.5103 -2 4 2 2
61.75 4.61 1.5022 4 2 0 2
61.81 5.30 1.5010 -5 2 0 2
61.83 1.17 1.5005 5 0 0 2
61.87 3.56 1.4997 2 -4 2 2
62.16 3.94 1.4934 -4 0 3 2
62.27 3.53 1.4910 0 4 2 2
62.38 1.08 1.4886 0 2 4 2
62.39 1.83 1.4885 -4 -2 1 2
62.41 1.54 1.4881 -5 0 1 2
62.55 1.61 1.4850 -5 2 1 2
62.87 3.04 1.4781 -1 -2 4 2
63.31 2.67 1.4689 -2 2 4 2
63.63 5.00 1.4624 -3 -2 3 2
63.98 5.15 1.4551 -4 2 3 2
64.50 2.19 1.4447 -3 0 4 2
64.55 3.69 1.4437 -1 -4 2 2
64.64 10.69 1.4419 5 0 1 2
65.02 3.48 1.4345 -3 4 2 2
65.56 14.12 1.4239 2 -2 4 2
65.64 2.82 1.4223 2 4 0 2
65.72 2.61 1.4208 -4 4 0 2
65.95 13.49 1.4163 1 2 4 2
66.32 2.41 1.4095 -5 0 2 2
66.36 1.06 1.4087 -4 -2 2 2
66.36 2.26 1.4086 3 -4 2 2
66.54 1.02 1.4054 -2 -4 1 2
66.72 2.32 1.4019 1 4 2 2
68.94 1.30 1.3621 0 -4 3 2
69.57 1.66 1.3513 -2 4 3 2
69.72 5.09 1.3488 3 0 4 2
70.62 5.48 1.3337 5 0 2 2
70.65 2.28 1.3332 -2 -4 2 2
71.12 1.62 1.3256 -4 4 2 2
71.63 1.75 1.3175 3 -2 4 2
71.99 1.65 1.3117 2 2 4 2
72.14 1.20 1.3093 -1 -4 3 2
73.11 1.03 1.2944 -3 5 1 2
73.29 4.91 1.2916 -5 0 3 2
73.91 2.03 1.2823 1 -5 2 2
74.16 1.06 1.2786 -3 -2 4 2
74.24 1.09 1.2774 1 5 0 2
74.59 1.43 1.2723 -4 2 4 2
74.61 1.50 1.2721 -1 5 2 2
74.83 1.06 1.2688 -2 5 2 2
76.44 4.02 1.2460 -6 0 1 2
77.02 1.12 1.2381 5 -4 1 2
77.12 1.13 1.2367 3 4 1 2
77.44 1.37 1.2325 -4 5 0 2
78.23 1.39 1.2219 -3 0 5 2
79.22 5.53 1.2092 1 -4 4 2
79.35 1.45 1.2076 4 0 4 2
79.98 4.42 1.1995 -1 4 4 2
85.11 1.02 1.1399 -5 -2 3 2
85.45 1.16 1.1362 -6 2 3 2
86.73 2.43 1.1228 0 6 0 2
86.78 2.37 1.1222 -3 6 0 2
87.03 1.65 1.1196 -1 0 6 2
87.19 1.19 1.1179 -3 -2 5 2
87.70 1.07 1.1128 -4 2 5 2
88.24 2.67 1.1074 6 -4 1 2
88.31 2.39 1.1067 4 4 1 2
88.65 1.05 1.1033 2 5 2 2
89.47 2.24 1.0954 -2 0 6 2
89.55 1.52 1.0945 -4 -4 2 2
89.95 1.03 1.0908 3 3 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.