Selenium
Marsh R E, Pauling L, McCullough J D
Acta Crystallographica 6 (1953) 71-75
The crystal structure of beta-selenium
Locality: synthetic
Note: structure known as beta phase
Note: cell parameters taken from Acta Crystallographica 5 (1952) 236-246
_database_code_amcsd 0009152
CELL PARAMETERS: 12.8500 8.0700 9.3100 90.000 93.130 90.000
SPACE GROUP: P2_1/a
X-RAY WAVELENGTH: 1.541838
Cell Volume: 964.002
Density (g/cm3): 4.352
MAX. ABS. INTENSITY / VOLUME**2: 17.17821427
RIR: 1.285
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
12.96 14.21 6.8312 1 1 0 4
14.54 2.35 6.0941 0 1 1 4
15.87 7.84 5.5827 -1 1 1 4
16.32 6.26 5.4299 1 1 1 4
16.35 3.86 5.4203 -2 0 1 2
17.22 4.77 5.1503 2 0 1 2
17.66 3.47 5.0219 2 1 0 4
19.09 35.80 4.6481 0 0 2 2
19.73 1.59 4.4995 -2 1 1 4
20.46 9.40 4.3415 2 1 1 4
22.03 29.48 4.0350 0 2 0 2
22.07 43.69 4.0277 0 1 2 4
22.83 14.18 3.8959 -1 1 2 4
23.01 56.53 3.8656 -2 0 2 2
23.11 5.06 3.8492 1 2 0 4
23.46 65.52 3.7919 1 1 2 4
23.54 79.07 3.7790 3 1 0 4
24.04 8.44 3.7014 0 2 1 4
24.25 43.64 3.6700 2 0 2 2
24.89 24.78 3.5771 -1 2 1 4
25.00 9.73 3.5613 -3 1 1 4
25.19 35.60 3.5359 1 2 1 4
25.55 100.00 3.4863 -2 1 2 4
26.09 66.04 3.4156 2 2 0 4
26.68 1.39 3.3407 2 1 2 4
27.56 2.33 3.2366 -2 2 1 4
27.81 24.90 3.2077 4 0 0 2
28.09 2.89 3.1763 2 2 1 4
28.95 8.21 3.0846 -4 0 1 2
29.31 2.38 3.0470 0 2 2 4
29.74 3.45 3.0040 -3 1 2 4
29.90 6.79 2.9887 -1 2 2 4
29.98 11.57 2.9809 4 1 0 4
30.39 35.42 2.9410 1 2 2 4
30.46 9.11 2.9350 3 2 0 4
30.91 36.32 2.8928 0 1 3 4
31.04 82.29 2.8813 -4 1 1 4
31.22 1.32 2.8653 3 1 2 4
31.35 12.92 2.8533 -1 1 3 4
31.62 8.68 2.8294 -3 2 1 4
31.99 1.63 2.7975 4 1 1 4
32.06 5.85 2.7916 1 1 3 4
32.06 22.71 2.7914 -2 2 2 4
32.33 14.74 2.7692 3 2 1 4
32.78 54.56 2.7324 2 0 3 2
32.99 1.83 2.7150 2 2 2 4
33.32 2.07 2.6889 -2 1 3 4
34.05 10.93 2.6328 1 3 0 4
34.66 2.64 2.5881 2 1 3 4
34.72 1.81 2.5840 0 3 1 4
34.84 17.76 2.5751 4 0 2 2
34.92 2.68 2.5691 -4 1 2 4
35.33 29.06 2.5406 -1 3 1 4
35.54 3.03 2.5257 1 3 1 4
35.76 2.61 2.5109 4 2 0 4
36.21 5.13 2.4807 2 3 0 4
36.56 11.83 2.4576 0 2 3 4
36.60 7.00 2.4549 -3 1 3 4
36.63 5.37 2.4533 4 1 2 4
36.67 1.14 2.4506 -4 2 1 4
36.75 15.40 2.4455 5 1 0 4
36.83 5.10 2.4407 3 2 2 4
37.32 22.11 2.4096 -2 3 1 4
37.50 11.62 2.3984 4 2 1 4
37.54 11.96 2.3959 -5 1 1 4
37.56 5.89 2.3947 1 2 3 4
37.73 10.67 2.3844 2 3 1 4
38.45 3.13 2.3414 3 1 3 4
38.55 3.15 2.3353 5 1 1 4
38.66 9.56 2.3289 -2 2 3 4
38.67 10.21 2.3282 0 3 2 4
38.75 1.27 2.3240 0 0 4 2
39.13 12.39 2.3019 -1 3 2 4
39.31 4.02 2.2921 -4 0 3 2
39.53 3.02 2.2799 1 3 2 4
39.84 8.87 2.2625 2 2 3 4
40.08 2.82 2.2498 -4 2 2 4
40.39 1.56 2.2333 0 1 4 4
40.51 3.28 2.2267 -3 3 1 4
40.64 3.20 2.2200 -1 1 4 4
40.79 5.08 2.2122 -5 1 2 4
41.08 5.80 2.1970 3 3 1 4
41.40 2.38 2.1809 1 1 4 4
41.58 11.50 2.1719 -3 2 3 4
41.63 9.28 2.1696 2 3 2 4
42.07 1.99 2.1478 2 0 4 2
42.66 6.59 2.1193 5 1 2 4
43.25 5.17 2.0921 3 2 3 4
43.34 9.97 2.0878 5 2 1 4
43.76 1.95 2.0688 -3 3 2 4
43.79 1.67 2.0671 6 1 0 4
43.93 1.15 2.0612 4 3 0 4
44.39 8.27 2.0408 -6 1 1 4
44.70 4.77 2.0274 -4 3 1 4
44.78 12.72 2.0237 -3 1 4 4
44.83 5.92 2.0218 3 3 2 4
44.93 5.06 2.0176 -1 3 3 4
45.01 1.18 2.0139 0 2 4 4
45.25 2.58 2.0041 -1 2 4 4
45.45 1.54 1.9956 6 1 1 4
45.72 2.24 1.9843 -6 0 2 2
45.94 16.37 1.9753 1 2 4 4
46.03 9.19 1.9716 0 4 1 4
46.52 5.68 1.9521 -1 4 1 4
47.11 12.73 1.9291 5 2 2 4
47.17 11.92 1.9269 -6 1 2 4
47.43 16.56 1.9169 2 3 3 4
47.58 1.27 1.9113 4 2 3 4
47.63 11.49 1.9092 -4 3 2 4
47.98 1.65 1.8960 2 2 4 4
48.12 7.34 1.8908 -2 4 1 4
48.43 1.85 1.8796 -4 1 4 4
48.46 1.33 1.8785 2 4 1 4
48.71 12.62 1.8693 -6 2 1 4
48.95 1.66 1.8609 -3 3 3 4
48.97 1.47 1.8602 4 3 2 4
49.08 1.13 1.8562 -3 2 4 4
49.17 21.36 1.8528 6 1 2 4
49.62 3.44 1.8374 -1 4 2 4
49.68 5.74 1.8350 4 0 4 2
49.69 12.71 1.8348 -5 3 1 4
49.98 1.89 1.8247 3 4 0 4
50.35 3.21 1.8124 -2 0 5 2
50.37 27.36 1.8118 0 1 5 4
50.50 4.94 1.8073 -1 1 5 4
50.50 4.84 1.8072 5 3 1 4
50.51 13.89 1.8068 -6 0 3 2
50.76 2.25 1.7984 -3 4 1 4
51.03 1.83 1.7896 3 2 4 4
51.07 4.25 1.7886 -2 4 2 4
51.25 3.47 1.7827 3 4 1 4
51.30 6.10 1.7809 1 1 5 4
51.55 2.74 1.7729 -7 1 1 4
51.69 3.67 1.7683 -2 1 5 4
51.86 9.60 1.7631 -6 1 3 4
51.95 4.94 1.7602 2 0 5 2
52.45 10.13 1.7446 -4 3 3 4
52.50 7.26 1.7431 -4 2 4 4
52.66 9.04 1.7382 7 1 1 4
52.67 5.98 1.7377 5 2 3 4
52.84 7.91 1.7327 1 3 4 4
53.20 4.20 1.7217 6 2 2 4
53.26 3.10 1.7198 2 1 5 4
53.37 2.07 1.7168 6 0 3 2
53.45 2.17 1.7142 -2 3 4 4
53.52 1.49 1.7121 -3 4 2 4
53.67 4.36 1.7078 4 4 0 4
53.90 1.04 1.7011 -3 1 5 4
54.25 7.21 1.6907 0 4 3 4
54.33 1.93 1.6886 0 2 5 4
54.33 3.08 1.6884 -4 4 1 4
54.53 13.66 1.6827 -1 4 3 4
54.66 5.16 1.6792 6 1 3 4
54.95 13.67 1.6711 4 4 1 4
54.97 6.41 1.6704 4 2 4 4
54.99 2.28 1.6698 1 4 3 4
55.22 3.15 1.6635 1 2 5 4
55.35 2.66 1.6599 -6 3 1 4
55.45 3.73 1.6570 -7 2 1 4
55.68 3.96 1.6506 -3 3 4 4
55.75 3.71 1.6490 -6 2 3 4
55.78 2.62 1.6481 -4 0 5 2
55.98 2.54 1.6425 5 1 4 4
56.51 1.33 1.6286 7 2 1 4
56.76 1.24 1.6220 -5 2 4 4
56.79 6.37 1.6212 -5 3 3 4
56.90 7.45 1.6183 -6 0 4 2
57.03 4.85 1.6147 -4 1 5 4
57.09 1.09 1.6134 2 2 5 4
57.55 1.88 1.6014 1 5 0 4
57.76 1.73 1.5961 -7 2 2 4
58.00 2.13 1.5902 0 5 1 4
58.08 3.82 1.5881 4 4 2 4
58.42 2.00 1.5797 6 2 3 4
58.56 11.89 1.5763 1 5 1 4
58.69 6.69 1.5731 8 1 0 4
58.72 9.23 1.5723 -5 4 1 4
58.74 6.24 1.5718 4 0 5 2
58.83 1.55 1.5696 -4 3 4 4
58.97 4.07 1.5662 8 0 1 2
58.99 3.88 1.5657 5 3 3 4
59.03 2.63 1.5649 -8 1 1 4
59.45 4.03 1.5548 5 4 1 4
59.49 5.66 1.5539 6 3 2 4
59.69 4.11 1.5491 5 2 4 4
60.07 5.43 1.5401 2 5 1 4
60.18 3.00 1.5375 8 1 1 4
60.54 4.36 1.5295 0 3 5 4
60.65 1.71 1.5268 -1 3 5 4
60.72 2.15 1.5252 -2 0 6 2
60.75 3.41 1.5247 0 5 2 4
60.93 2.78 1.5205 -1 1 6 4
60.99 1.81 1.5193 -1 4 4 4
61.10 2.48 1.5168 -5 4 2 4
61.14 6.66 1.5159 4 3 4 4
61.19 1.08 1.5147 7 3 0 4
61.23 1.47 1.5138 7 1 3 4
61.36 2.02 1.5109 1 5 2 4
61.60 3.03 1.5056 6 1 4 4
61.82 3.29 1.5008 -7 2 3 4
62.08 1.25 1.4951 -3 5 1 4
62.11 7.05 1.4944 -2 4 4 4
62.58 1.40 1.4844 7 3 1 4
62.81 2.77 1.4794 -5 3 4 4
62.91 1.35 1.4774 2 5 2 4
63.24 1.87 1.4705 2 4 4 4
63.38 1.26 1.4675 6 4 0 4
63.43 1.89 1.4664 8 1 2 4
64.46 2.42 1.4455 -1 2 6 4
64.52 2.19 1.4443 5 1 5 4
64.70 2.53 1.4407 -8 2 2 4
65.17 1.44 1.4315 0 5 3 4
65.69 2.00 1.4214 7 3 2 4
66.86 1.39 1.3993 -9 1 1 4
67.27 1.45 1.3919 -3 2 6 4
67.55 2.06 1.3867 -4 5 2 4
68.06 2.26 1.3776 8 3 0 4
68.37 1.12 1.3721 -8 3 1 4
68.63 1.21 1.3676 4 5 2 4
69.21 1.24 1.3575 4 4 4 4
69.98 5.65 1.3445 -4 2 6 4
70.13 1.82 1.3419 -1 3 6 4
70.20 2.91 1.3407 -5 1 6 4
70.23 1.03 1.3402 -9 2 1 4
70.38 1.26 1.3377 1 6 0 4
70.92 1.05 1.3288 1 3 6 4
71.80 1.03 1.3148 -2 0 7 2
72.89 1.82 1.2977 -2 1 7 4
72.97 1.66 1.2966 1 1 7 4
73.40 1.19 1.2899 5 4 4 4
73.50 2.32 1.2884 -5 2 6 4
73.50 1.56 1.2884 7 4 2 4
73.76 2.11 1.2846 -8 2 4 4
74.58 1.89 1.2724 -6 1 6 4
74.72 2.18 1.2704 6 5 1 4
75.78 1.35 1.2552 3 5 4 4
75.89 1.58 1.2537 9 1 3 4
76.26 1.98 1.2486 -8 0 5 2
76.62 1.54 1.2436 7 3 4 4
76.91 1.44 1.2396 -10 1 2 4
76.97 1.79 1.2389 -4 5 4 4
77.34 1.98 1.2338 0 6 3 4
77.96 1.43 1.2256 1 6 3 4
78.13 1.02 1.2233 6 0 6 2
78.35 1.89 1.2204 6 4 4 4
78.52 1.49 1.2182 1 4 6 4
79.05 1.61 1.2113 7 5 0 4
79.11 1.04 1.2106 9 2 3 4
79.23 1.61 1.2090 -10 0 3 2
79.41 1.07 1.2068 -7 5 1 4
79.46 1.50 1.2062 10 1 2 4
79.61 3.89 1.2042 10 2 1 4
79.65 1.19 1.2037 -6 5 3 4
80.11 1.26 1.1980 -10 2 2 4
80.16 4.70 1.1973 2 4 6 4
80.49 1.35 1.1932 3 2 7 4
80.51 2.22 1.1930 -5 5 4 4
80.53 1.90 1.1928 -8 2 5 4
81.30 1.08 1.1834 -3 5 5 4
81.34 1.16 1.1829 8 0 5 2
81.48 2.18 1.1812 -2 3 7 4
82.40 1.38 1.1704 8 1 5 4
82.94 1.59 1.1641 0 6 4 4
83.30 3.28 1.1600 -4 6 3 4
84.05 3.11 1.1516 7 4 4 4
84.49 1.11 1.1467 8 4 3 4
84.84 1.48 1.1429 -2 1 8 4
84.89 2.30 1.1423 -7 5 3 4
84.97 1.65 1.1415 -9 4 2 4
85.24 6.43 1.1385 6 6 0 4
85.27 1.69 1.1381 11 1 1 4
85.38 1.54 1.1370 -10 3 2 4
85.60 1.73 1.1347 2 7 0 4
86.51 1.83 1.1250 2 7 1 4
86.84 2.96 1.1216 2 1 8 4
87.04 1.53 1.1195 -11 2 1 4
87.10 2.75 1.1190 0 7 2 4
87.22 1.02 1.1177 10 2 3 4
87.78 1.03 1.1120 -6 2 7 4
88.14 1.22 1.1084 -7 3 6 4
88.72 2.14 1.1026 -11 2 2 4
88.83 4.45 1.1015 6 0 7 2
88.90 1.28 1.1008 1 4 7 4
89.10 1.18 1.0989 4 3 7 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.