Woodruffite
Post J E, Heaney P J, Cahill C L, Finger L W
American Mineralogist 88 (2003) 1697-1702
Woodruffite: A new Mn oxide structure with 3x4 tunnels
Sample: at T = 100 K
_database_code_amcsd 0003182
CELL PARAMETERS: 24.7650 2.8473 9.5590 90.000 93.770 90.000
SPACE GROUP: C2/m
X-RAY WAVELENGTH: 1.541838
Cell Volume: 672.579
Density (g/cm3): 3.960
MAX. ABS. INTENSITY / VOLUME**2: 16.90755758
RIR: 1.390
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
7.15 29.64 12.3557 2 0 0 2
9.27 55.21 9.5383 0 0 1 2
12.09 3.83 7.3210 2 0 1 2
14.34 57.59 6.1779 4 0 0 2
16.58 10.51 5.3482 -4 0 1 2
17.61 28.98 5.0364 4 0 1 2
18.60 100.00 4.7692 0 0 2 2
19.51 19.24 4.5509 -2 0 2 2
20.40 46.03 4.3541 2 0 2 2
21.58 19.17 4.1186 6 0 0 2
22.79 6.10 3.9012 -4 0 2 2
22.95 8.34 3.8750 -6 0 1 2
24.09 28.76 3.6938 6 0 1 2
28.06 4.47 3.1794 0 0 3 2
28.52 2.33 3.1292 -2 0 3 2
29.47 1.77 3.0314 2 0 3 2
29.58 7.01 3.0204 6 0 2 2
30.77 12.77 2.9058 -4 0 3 2
31.01 7.70 2.8836 8 0 1 2
32.51 6.93 2.7543 4 0 3 2
33.51 13.35 2.6741 -8 0 2 2
34.48 11.65 2.6008 -6 0 3 2
34.83 1.02 2.5755 3 1 1 4
35.65 4.69 2.5182 8 0 2 2
36.36 14.07 2.4711 10 0 0 2
36.42 18.74 2.4672 5 1 0 4
36.82 3.59 2.4409 -1 1 2 4
36.83 3.70 2.4403 6 0 3 2
37.07 19.31 2.4249 1 1 2 4
37.35 30.49 2.4078 -5 1 1 4
37.72 5.37 2.3846 0 0 4 2
37.96 1.53 2.3706 -2 0 4 2
37.97 1.40 2.3698 5 1 1 4
38.04 11.86 2.3655 -3 1 2 4
38.22 10.49 2.3549 10 0 1 2
38.77 28.59 2.3224 3 1 2 4
39.31 1.39 2.2921 -8 0 3 2
39.61 2.36 2.2754 -4 0 4 2
39.97 4.95 2.2555 -10 0 2 2
40.62 15.53 2.2213 -5 1 2 4
41.45 2.58 2.1787 -7 1 1 4
41.48 1.34 2.1770 4 0 4 2
42.24 2.58 2.1394 7 1 1 4
42.28 13.56 2.1374 10 0 2 2
42.54 6.75 2.1251 -6 0 4 2
43.59 2.72 2.0762 -3 1 3 4
44.35 1.03 2.0423 -7 1 2 4
44.58 1.61 2.0327 3 1 3 4
44.96 5.17 2.0164 -10 0 3 2
45.81 19.44 1.9809 -5 1 3 4
45.86 17.93 1.9789 7 1 2 4
47.38 5.91 1.9189 5 1 3 4
47.67 1.35 1.9077 0 0 5 2
48.10 4.15 1.8918 10 0 3 2
49.05 1.77 1.8572 -9 1 2 4
50.60 4.62 1.8041 -3 1 4 4
50.84 7.58 1.7960 9 1 2 4
51.21 3.36 1.7839 7 1 3 4
51.48 15.24 1.7753 -10 0 4 2
52.49 18.64 1.7434 -5 1 4 4
53.31 1.97 1.7185 11 1 1 4
54.38 15.07 1.6872 5 1 4 4
54.54 3.64 1.6827 -11 1 2 4
55.26 17.91 1.6622 10 0 4 2
55.93 2.07 1.6440 9 1 3 4
56.56 5.66 1.6271 11 1 2 4
57.15 2.04 1.6119 -12 0 4 2
58.02 1.51 1.5897 0 0 6 2
58.37 2.37 1.5809 13 1 0 4
58.52 1.00 1.5772 -11 1 3 4
59.21 2.03 1.5605 -10 0 5 2
60.05 1.08 1.5408 3 1 5 4
60.35 9.20 1.5337 -5 1 5 4
60.70 10.37 1.5258 -13 1 2 4
62.51 8.36 1.4857 5 1 5 4
62.94 4.95 1.4767 13 1 2 4
62.96 2.19 1.4763 -7 1 5 4
64.09 1.38 1.4529 -8 0 6 2
64.36 2.19 1.4475 -13 1 3 4
65.42 1.63 1.4266 -16 0 3 2
65.45 8.38 1.4259 15 1 0 4
65.57 10.19 1.4237 0 2 0 2
65.65 10.58 1.4222 -15 1 1 4
66.06 1.31 1.4143 2 2 0 4
66.39 3.38 1.4081 0 2 1 4
66.90 2.00 1.3987 15 1 1 4
66.96 1.42 1.3975 2 2 1 4
67.35 2.94 1.3903 -1 1 6 4
67.48 1.53 1.3880 -15 1 2 4
67.52 1.39 1.3873 4 2 0 4
67.82 7.88 1.3818 -3 1 6 4
67.84 4.89 1.3814 1 1 6 4
67.99 1.98 1.3788 -10 0 6 2
68.14 1.28 1.3761 14 0 4 2
68.82 1.85 1.3642 0 2 2 4
69.29 1.16 1.3560 3 1 6 4
69.52 1.26 1.3521 -13 1 4 4
71.67 1.07 1.3168 5 1 6 4
72.95 1.08 1.2968 18 0 2 2
73.20 2.20 1.2930 -17 1 1 4
73.29 1.88 1.2917 -18 0 3 2
73.55 1.25 1.2878 6 2 2 4
74.19 2.08 1.2781 -8 0 7 2
74.30 1.54 1.2766 8 2 1 4
74.45 1.94 1.2743 15 1 3 4
74.86 1.17 1.2684 -9 1 6 4
74.94 1.92 1.2672 7 1 6 4
76.24 1.08 1.2488 -6 2 3 4
77.21 1.05 1.2356 20 0 0 2
77.36 2.22 1.2336 10 2 0 4
77.73 1.00 1.2285 -10 2 1 4
78.20 1.34 1.2224 0 2 4 4
78.51 1.67 1.2183 10 2 1 4
79.21 1.61 1.2094 -8 2 3 4
80.57 2.96 1.1923 0 0 8 2
81.18 1.79 1.1849 10 2 2 4
81.36 2.09 1.1827 -19 1 1 4
81.87 2.06 1.1766 5 1 7 4
82.04 1.08 1.1746 -15 1 5 4
82.99 1.49 1.1635 16 0 5 2
83.60 1.13 1.1566 4 0 8 2
84.04 1.67 1.1516 11 1 6 4
85.33 2.28 1.1375 10 2 3 4
87.92 3.08 1.1106 -10 2 4 4
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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.