Sulphur
Templeton L K, Templeton D H, Zalkin A
Inorganic Chemistry 15 (1976) 1999-2001
Crystal structure of monoclinic sulfur
Locality: synthetic
Note: this is known as the beta phase of sulfur
_database_code_amcsd 0012682
CELL PARAMETERS: 10.9260 10.8550 10.7900 90.000 95.920 90.000
SPACE GROUP: P2_1/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1272.888
Density (g/cm3): 2.008
MAX. ABS. INTENSITY / VOLUME**2: 2.833582612
RIR: 0.460
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
8.14 10.25 10.8677 1 0 0 2
11.52 1.03 7.6801 1 1 0 4
13.68 7.39 6.4730 -1 1 1 4
14.66 45.98 6.0408 1 1 1 4
16.31 8.43 5.4339 2 0 0 2
16.33 4.06 5.4275 0 2 0 2
16.52 17.80 5.3662 0 0 2 2
18.26 7.37 4.8591 2 1 0 4
18.27 17.39 4.8556 1 2 0 4
19.34 57.34 4.5884 -2 1 1 4
19.48 45.71 4.5576 -1 1 2 4
19.72 43.08 4.5025 -1 2 1 4
20.87 2.04 4.2556 1 1 2 4
22.05 25.14 4.0317 -2 0 2 2
23.16 1.01 3.8401 2 2 0 4
23.31 75.44 3.8160 0 2 2 4
23.54 81.52 3.7795 -2 1 2 4
24.04 82.43 3.7022 -2 2 1 4
24.15 51.92 3.6860 -1 2 2 4
24.49 48.03 3.6353 2 0 2 2
24.57 21.70 3.6226 3 0 0 2
25.19 97.99 3.5348 2 2 1 4
25.30 23.87 3.5207 1 2 2 4
25.85 13.36 3.4472 2 1 2 4
25.93 47.62 3.4363 3 1 0 4
25.95 20.73 3.4331 1 3 0 4
25.99 54.74 3.4287 0 3 1 4
26.45 22.90 3.3698 -3 1 1 4
26.71 100.00 3.3374 -1 1 3 4
27.54 20.97 3.2394 1 3 1 4
27.56 23.88 3.2365 -2 2 2 4
28.27 12.99 3.1573 -3 0 2 2
28.28 71.00 3.1561 1 1 3 4
29.46 3.20 3.0316 -3 1 2 4
29.58 6.26 3.0204 2 2 2 4
29.65 3.91 3.0131 3 2 0 4
29.66 7.88 3.0117 2 3 0 4
29.91 2.20 2.9870 0 2 3 4
30.11 14.75 2.9679 -3 2 1 4
30.34 2.11 2.9457 -1 2 3 4
30.36 10.40 2.9438 -2 3 1 4
31.18 6.17 2.8684 3 0 2 2
31.30 6.65 2.8575 2 3 1 4
31.39 3.83 2.8500 1 3 2 4
31.52 1.71 2.8383 3 2 1 4
31.74 2.88 2.8188 1 2 3 4
32.42 11.33 2.7618 2 1 3 4
32.82 2.46 2.7291 -3 2 2 4
32.95 6.15 2.7183 -2 2 3 4
33.01 3.79 2.7137 0 4 0 2
33.40 9.27 2.6831 0 0 4 2
33.57 3.81 2.6698 -1 0 4 2
34.02 4.57 2.6356 4 1 0 4
34.05 20.06 2.6329 1 4 0 4
34.08 4.96 2.6309 0 4 1 4
34.21 29.23 2.6210 -4 1 1 4
34.88 10.67 2.5720 -1 4 1 4
34.99 3.86 2.5645 2 3 2 4
35.05 11.90 2.5600 3 3 0 4
36.74 1.06 2.4462 -2 1 4 4
37.12 6.61 2.4217 0 4 2 4
37.18 1.05 2.4181 -4 2 1 4
37.39 1.50 2.4053 0 2 4 4
37.54 5.70 2.3956 -1 2 4 4
37.61 1.34 2.3918 -2 4 1 4
37.82 3.17 2.3789 -3 3 2 4
38.39 4.19 2.3448 2 4 1 4
38.66 4.26 2.3291 4 0 2 2
38.75 2.10 2.3239 4 2 1 4
39.10 2.70 2.3039 1 2 4 4
39.55 5.03 2.2788 -2 2 4 4
39.85 4.47 2.2622 2 1 4 4
40.12 10.25 2.2478 3 3 2 4
40.23 1.65 2.2417 2 3 3 4
40.58 2.27 2.2229 -3 1 4 4
41.57 3.44 2.1726 4 3 0 4
41.78 2.39 2.1621 0 4 3 4
42.06 2.31 2.1483 -1 3 4 4
42.40 2.10 2.1320 -5 1 1 4
42.41 4.13 2.1312 5 1 0 4
42.46 2.30 2.1289 1 5 0 4
42.48 1.57 2.1279 0 5 1 4
42.48 8.73 2.1278 2 2 4 4
42.95 4.45 2.1057 0 1 5 4
43.03 1.93 2.1020 -4 2 3 4
43.17 3.73 2.0957 1 4 3 4
43.27 1.01 2.0910 -5 0 2 2
43.48 1.28 2.0814 1 3 4 4
44.10 4.45 2.0533 -2 4 3 4
44.11 1.30 2.0533 -5 1 2 4
44.65 6.31 2.0293 1 1 5 4
44.70 1.54 2.0273 4 1 3 4
44.97 4.73 2.0159 -4 0 4 2
45.02 2.91 2.0136 3 3 3 4
45.05 2.94 2.0125 0 5 2 4
45.40 2.82 1.9976 -1 2 5 4
45.46 1.11 1.9953 -2 5 1 4
45.78 1.57 1.9820 -4 1 4 4
46.36 1.70 1.9584 4 3 2 4
46.54 8.48 1.9512 -5 2 2 4
46.60 1.97 1.9488 2 3 4 4
46.68 7.71 1.9459 5 0 2 2
46.97 1.27 1.9347 -2 2 5 4
47.12 1.70 1.9289 4 2 3 4
47.25 3.11 1.9235 3 2 4 4
47.35 11.75 1.9200 4 4 0 4
47.39 5.65 1.9182 -5 1 3 4
47.71 5.15 1.9062 -3 1 5 4
47.88 2.50 1.8998 2 1 5 4
48.86 3.95 1.8639 2 5 2 4
48.91 1.30 1.8622 3 5 0 4
49.08 1.45 1.8562 1 4 4 4
49.09 3.07 1.8560 0 5 3 4
49.22 10.21 1.8511 -4 4 2 4
49.33 2.45 1.8473 -1 3 5 4
49.37 3.59 1.8460 -1 5 3 4
49.45 1.17 1.8430 -2 4 4 4
50.18 1.36 1.8181 2 2 5 4
50.32 1.20 1.8135 1 5 3 4
50.44 2.44 1.8092 0 6 0 2
50.80 1.05 1.7972 -2 3 5 4
50.90 6.13 1.7939 1 3 5 4
51.13 2.78 1.7866 6 1 0 4
51.15 3.86 1.7858 -2 5 3 4
51.29 1.39 1.7812 -5 0 4 2
51.61 3.65 1.7709 -1 1 6 4
51.72 4.06 1.7674 4 4 2 4
51.80 5.54 1.7649 0 1 6 4
52.03 3.88 1.7577 -5 1 4 4
52.42 1.40 1.7454 3 1 5 4
52.71 3.50 1.7365 1 0 6 2
52.98 3.00 1.7283 2 5 3 4
53.14 1.51 1.7236 4 2 4 4
53.32 2.17 1.7181 6 2 0 4
53.69 1.91 1.7072 -3 3 5 4
53.81 3.48 1.7037 -2 6 1 4
53.86 6.84 1.7021 -1 6 2 4
53.97 2.41 1.6989 0 2 6 4
54.06 3.52 1.6965 5 4 0 4
54.20 3.09 1.6924 -5 2 4 4
54.21 3.67 1.6921 -4 5 1 4
54.46 2.59 1.6849 -6 2 2 4
54.48 2.02 1.6844 -1 5 4 4
54.85 1.36 1.6739 -3 0 6 2
54.94 2.77 1.6712 6 2 1 4
55.07 1.86 1.6676 -6 1 3 4
55.17 1.20 1.6649 6 0 2 2
55.55 3.38 1.6543 -3 1 6 4
55.56 1.36 1.6539 1 2 6 4
55.65 7.40 1.6516 1 5 4 4
55.78 4.13 1.6480 -4 5 2 4
56.00 1.43 1.6422 -2 5 4 4
56.43 2.42 1.6306 2 1 6 4
56.67 1.71 1.6242 4 3 4 4
57.16 3.38 1.6115 -6 2 3 4
57.16 2.17 1.6114 -3 6 1 4
57.47 1.65 1.6035 0 3 6 4
57.78 1.35 1.5957 5 3 3 4
57.92 5.33 1.5923 5 1 4 4
58.05 3.51 1.5888 3 3 5 4
58.08 1.48 1.5881 4 5 2 4
58.29 1.38 1.5830 -5 4 3 4
58.35 2.06 1.5814 5 4 2 4
58.56 1.62 1.5762 -3 4 5 4
58.73 2.81 1.5722 -4 5 3 4
58.91 1.54 1.5677 -2 6 3 4
59.00 2.25 1.5656 1 3 6 4
59.94 2.35 1.5432 5 2 4 4
59.99 1.08 1.5420 3 0 6 2
60.21 1.71 1.5369 7 1 0 4
60.29 1.93 1.5352 1 7 0 4
60.50 1.31 1.5302 3 6 2 4
60.54 1.45 1.5295 -6 3 3 4
60.59 3.14 1.5283 2 6 3 4
60.67 1.57 1.5264 0 5 5 4
60.73 3.73 1.5250 -1 1 7 4
61.59 1.17 1.5059 4 6 0 4
62.01 1.27 1.4965 1 5 5 4
62.19 1.62 1.4927 7 2 0 4
62.45 1.26 1.4872 5 4 3 4
62.60 1.20 1.4840 -6 4 2 4
62.71 1.26 1.4816 3 4 5 4
63.37 1.68 1.4678 -2 6 4 4
64.03 2.15 1.4541 -3 1 7 4
64.22 1.42 1.4503 -5 5 3 4
64.25 1.19 1.4498 3 6 3 4
64.54 1.02 1.4439 -5 1 6 4
65.41 2.86 1.4269 6 3 3 4
65.52 2.86 1.4247 -3 4 6 4
65.72 1.03 1.4207 -3 7 1 4
65.81 1.79 1.4191 6 4 2 4
66.98 1.54 1.3971 7 3 1 4
67.18 1.16 1.3934 -6 5 1 4
67.74 1.16 1.3833 -1 5 6 4
69.29 1.47 1.3561 1 5 6 4
70.01 1.44 1.3439 -6 0 6 2
70.05 1.01 1.3432 -3 7 3 4
72.57 1.00 1.3027 2 8 1 4
74.80 1.53 1.2693 -5 6 4 4
76.60 1.22 1.2438 -7 3 5 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.