Pigeonite
Merli M, Camara F
European Journal of Mineralogy 15 (2003) 903-911
Topological analysis of the electron density of the clinopyroxene
structure by the maximum entropy method: an exploratory study
Sample: BTS-308 n.13
Note: Site occupancies are from personal communication with Camara, Dec 2003
Locality: in ryodacite, Parana, Brazil
_database_code_amcsd 0007018
CELL PARAMETERS: 9.7160 8.9480 5.2500 90.000 108.490 90.000
SPACE GROUP: P2_1/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 432.867
Density (g/cm3): 3.548
MAX. ABS. INTENSITY / VOLUME**2: 11.59444643
RIR: 1.064
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
13.79 2.39 6.4193 1 1 0 4
19.27 11.28 4.6072 2 0 0 2
20.01 11.74 4.4376 -1 1 1 4
20.41 3.67 4.3508 0 1 1 4
24.94 1.10 3.5707 1 1 1 4
26.48 1.68 3.3662 -1 2 1 4
26.79 15.35 3.3279 0 2 1 4
27.80 51.65 3.2097 2 2 0 4
29.59 100.00 3.0184 -2 2 1 4
30.63 40.93 2.9191 -3 1 1 4
30.78 45.91 2.9051 3 1 0 4
34.83 45.86 2.5760 -1 3 1 4
35.07 2.03 2.5587 0 3 1 4
36.08 49.69 2.4895 0 0 2 2
36.50 27.25 2.4614 2 2 1 4
37.32 4.58 2.4098 -2 3 1 4
38.00 3.12 2.3679 1 3 1 4
40.37 13.87 2.2344 3 1 1 4
40.42 3.75 2.2317 1 0 2 2
40.66 2.37 2.2188 -2 2 2 4
41.51 4.78 2.1754 0 2 2 4
41.71 8.07 2.1654 1 1 2 4
42.12 37.91 2.1454 -3 3 1 4
42.23 3.10 2.1398 3 3 0 4
42.74 7.82 2.1155 -4 2 1 4
43.83 1.93 2.0657 -3 2 2 4
44.22 3.59 2.0481 4 2 0 4
44.30 15.24 2.0447 -4 0 2 2
44.40 10.61 2.0405 0 4 1 4
45.05 4.97 2.0123 2 4 0 4
45.51 1.28 1.9933 -4 1 2 4
46.26 3.83 1.9625 -2 4 1 4
46.65 10.97 1.9471 2 0 2 2
48.69 1.68 1.8703 -4 3 1 4
49.97 3.03 1.8251 3 3 1 4
50.57 3.56 1.8050 5 1 0 4
51.12 1.89 1.7869 1 3 2 4
51.16 9.85 1.7854 2 2 2 4
51.27 1.91 1.7819 2 4 1 4
52.06 11.45 1.7568 1 5 0 4
52.92 2.98 1.7302 4 2 1 4
53.92 2.11 1.7005 -1 1 3 4
54.52 3.63 1.6831 -2 4 2 4
54.86 3.92 1.6734 -3 1 3 4
55.20 1.33 1.6639 0 4 2 4
55.34 4.68 1.6602 3 1 2 4
56.52 18.51 1.6283 -2 2 3 4
56.59 25.79 1.6264 -5 3 1 4
59.72 3.45 1.5484 -3 5 1 4
59.81 5.30 1.5463 3 5 0 4
59.91 6.76 1.5440 -6 0 2 2
60.26 6.00 1.5357 6 0 0 2
61.48 4.69 1.5082 -2 3 3 4
61.96 14.44 1.4978 -1 3 3 4
62.25 12.77 1.4913 0 6 0 2
62.82 2.29 1.4792 -3 3 3 4
62.87 1.26 1.4781 -1 5 2 4
63.08 5.43 1.4738 4 0 2 2
63.32 2.14 1.4687 2 4 2 4
63.77 3.28 1.4596 -6 2 2 4
64.08 1.67 1.4531 0 5 2 4
65.82 5.28 1.4190 -3 5 2 4
66.07 2.07 1.4141 3 5 1 4
67.03 1.90 1.3962 1 5 2 4
67.28 27.72 1.3917 5 3 1 4
68.07 3.18 1.3775 -2 4 3 4
68.19 5.16 1.3753 1 3 3 4
68.51 1.32 1.3695 -7 1 1 4
69.24 1.85 1.3570 2 2 3 4
69.37 1.91 1.3547 -7 0 2 2
70.28 6.51 1.3394 -7 1 2 4
70.65 4.68 1.3333 -5 3 3 4
70.67 1.50 1.3329 0 4 3 4
72.30 2.16 1.3069 -3 0 4 2
72.59 1.73 1.3023 7 1 0 4
73.14 1.21 1.2940 6 2 1 4
73.19 1.60 1.2932 -3 1 4 4
73.53 1.05 1.2880 -2 6 2 4
73.76 1.21 1.2846 3 1 3 4
73.80 1.75 1.2840 5 1 2 4
74.11 10.17 1.2793 0 6 2 4
74.23 4.38 1.2776 -4 0 4 2
75.59 1.28 1.2580 -2 2 4 4
76.02 1.13 1.2519 4 6 0 4
76.54 2.17 1.2447 0 0 4 2
77.34 1.53 1.2339 -3 5 3 4
77.73 7.14 1.2286 3 5 2 4
79.56 2.03 1.2049 -4 6 2 4
81.25 1.04 1.1840 -5 2 4 4
81.25 1.63 1.1840 2 6 2 4
82.17 1.20 1.1731 7 1 1 4
82.64 1.03 1.1676 -8 2 1 4
82.92 1.79 1.1644 -6 0 4 2
84.03 1.62 1.1518 8 0 0 2
89.57 1.47 1.0944 -8 2 3 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.