Hoelite
Murty B V R
Zeitschrift fur Kristallographie 113 (1960) 445-465
Refinement of the structure of anthraquinone
_database_code_amcsd 0010586
CELL PARAMETERS: 15.8100 3.9420 7.8650 90.000 102.720 90.000
SPACE GROUP: P2_1/a
X-RAY WAVELENGTH: 1.541838
Cell Volume: 478.141
Density (g/cm3): 1.446
MAX. ABS. INTENSITY / VOLUME**2: 4.100017275
RIR: 0.923
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.48 64.79 7.7110 2 0 0 2
11.53 40.24 7.6720 0 0 1 2
14.38 52.88 6.1588 -2 0 1 2
18.02 1.19 4.9235 2 0 1 2
23.07 13.16 3.8555 4 0 0 2
23.19 10.99 3.8360 0 0 2 2
23.29 21.46 3.8192 1 1 0 4
23.43 5.18 3.7966 -4 0 1 2
23.52 6.03 3.7826 -2 0 2 2
25.38 63.86 3.5099 2 1 0 4
25.40 44.65 3.5062 0 1 1 4
26.63 100.00 3.3470 1 1 1 4
28.10 1.96 3.1758 4 0 1 2
28.17 2.71 3.1676 2 0 2 2
28.53 16.23 3.1282 3 1 0 4
29.00 3.60 3.0794 -4 0 2 2
29.02 8.98 3.0772 2 1 1 4
29.35 6.38 3.0427 -3 1 1 4
32.32 3.43 2.7698 3 1 1 4
32.48 2.19 2.7563 4 1 0 4
34.02 2.63 2.6356 1 1 2 4
34.27 2.46 2.6169 -6 0 1 2
34.43 2.64 2.6047 -2 0 3 2
36.50 1.25 2.4618 4 0 2 2
37.01 8.04 2.4292 5 1 0 4
39.34 6.08 2.2900 6 0 1 2
39.49 6.43 2.2818 2 0 3 2
40.36 1.17 2.2349 -5 1 2 4
40.87 4.34 2.2083 5 1 1 4
41.41 2.09 2.1806 -1 1 3 4
41.96 1.70 2.1531 6 1 0 4
42.12 3.37 2.1454 0 1 3 4
43.66 5.29 2.0733 1 1 3 4
44.11 4.86 2.0529 -6 0 3 2
44.28 1.87 2.0455 -6 1 2 4
44.37 3.05 2.0418 -4 1 3 4
47.26 1.06 1.9232 7 1 0 4
47.40 1.23 1.9180 0 0 4 2
47.66 2.10 1.9082 5 1 2 4
49.83 5.69 1.8298 2 2 1 4
51.35 3.15 1.7793 8 0 1 2
51.57 2.42 1.7721 2 0 4 2
52.01 6.03 1.7584 3 2 1 4
52.12 1.02 1.7550 4 2 0 4
52.34 1.18 1.7479 -2 2 2 4
53.17 1.41 1.7226 1 2 2 4
54.82 2.94 1.6747 4 2 1 4
54.86 2.62 1.6735 2 2 2 4
55.31 1.58 1.6609 5 2 0 4
55.67 1.84 1.6510 -5 1 4 4
59.85 1.77 1.5454 3 1 4 4
72.59 1.46 1.3024 -4 0 6 2
75.36 1.82 1.2612 6 2 3 4
76.61 1.84 1.2438 7 1 4 4
80.94 1.04 1.1878 5 2 4 4
82.10 1.21 1.1739 -7 1 6 4
86.00 1.08 1.1303 -13 1 3 4
86.36 1.79 1.1266 -14 0 2 2
86.47 1.47 1.1255 5 3 2 4
89.06 1.04 1.0993 -6 0 7 2
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.