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: Dien2
Note: c-cell parameter changed by personal communication with author, Dec 2003
Locality: synthetic
_database_code_amcsd 0007019
CELL PARAMETERS: 9.6510 8.8460 5.2520 90.000 108.380 90.000
SPACE GROUP: P2_1/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 425.504
Density (g/cm3): 3.171
MAX. ABS. INTENSITY / VOLUME**2: 8.796470600
RIR: 0.903
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
20.08 6.88 4.4230 0 2 0 2
20.45 6.08 4.3423 0 1 1 4
24.99 1.87 3.5630 1 1 1 4
26.67 2.51 3.3430 -1 2 1 4
26.95 35.52 3.3082 0 2 1 4
28.05 34.68 3.1814 2 2 0 4
29.82 100.00 2.9957 -2 2 1 4
30.59 1.78 2.9222 1 2 1 4
30.83 26.97 2.9003 -3 1 1 4
30.99 57.64 2.8859 3 1 0 4
31.88 1.23 2.8068 1 3 0 4
35.15 23.45 2.5534 -1 3 1 4
35.15 8.23 2.5528 -2 0 2 2
35.37 6.80 2.5378 0 3 1 4
36.04 43.32 2.4920 0 0 2 2
36.69 22.24 2.4493 2 2 1 4
37.66 8.43 2.3882 -2 3 1 4
40.40 7.40 2.2329 1 0 2 2
40.52 8.24 2.2262 3 1 1 4
41.72 7.70 2.1650 1 1 2 4
42.51 29.67 2.1266 -3 3 1 4
42.63 1.74 2.1209 3 3 0 4
43.08 4.73 2.0995 -4 2 1 4
44.04 1.89 2.0561 -3 2 2 4
44.50 8.57 2.0360 -4 0 2 2
44.65 1.31 2.0293 -1 4 1 4
44.84 8.69 2.0214 0 4 1 4
45.55 3.61 1.9914 2 4 0 4
45.73 2.92 1.9841 -4 1 2 4
46.67 6.60 1.9464 2 0 2 2
46.74 6.69 1.9434 -2 4 1 4
49.13 2.33 1.8545 -4 3 1 4
50.89 1.18 1.7944 -3 4 1 4
50.91 5.34 1.7937 5 1 0 4
51.28 7.32 1.7815 2 2 2 4
51.71 3.22 1.7677 2 4 1 4
51.74 1.79 1.7668 -5 2 1 4
52.69 7.47 1.7371 1 5 0 4
53.20 1.79 1.7216 4 2 1 4
54.93 2.66 1.6715 -2 4 2 4
54.94 2.50 1.6712 -3 1 3 4
55.08 1.48 1.6673 0 5 1 4
55.43 6.53 1.6575 3 1 2 4
55.56 2.63 1.6541 0 4 2 4
56.60 19.25 1.6260 -2 2 3 4
57.06 1.20 1.6140 -1 2 3 4
57.09 23.38 1.6133 -5 3 1 4
57.84 1.04 1.5942 3 4 1 4
57.98 1.90 1.5907 4 4 0 4
58.46 1.11 1.5786 4 3 1 4
60.30 4.91 1.5350 -6 0 2 2
60.39 2.32 1.5329 -3 5 1 4
60.48 4.38 1.5307 3 5 0 4
60.67 4.31 1.5264 6 0 0 2
61.67 9.14 1.5040 -2 3 3 4
62.11 10.75 1.4944 -1 3 3 4
63.05 14.49 1.4743 0 6 0 2
63.22 3.31 1.4708 4 0 2 2
63.50 1.39 1.4651 -5 1 3 4
63.69 1.25 1.4611 2 4 2 4
64.19 1.01 1.4508 4 1 2 4
64.23 2.06 1.4501 -6 2 2 4
64.61 3.03 1.4426 0 5 2 4
66.38 1.63 1.4083 -5 2 3 4
66.43 3.03 1.4073 -3 5 2 4
66.70 1.05 1.4024 3 5 1 4
67.55 1.03 1.3867 1 5 2 4
67.72 28.10 1.3836 5 3 1 4
68.33 3.90 1.3727 1 3 3 4
68.40 5.04 1.3716 -2 4 3 4
69.31 1.18 1.3558 2 2 3 4
69.87 3.28 1.3462 -7 0 2 2
70.79 7.25 1.3309 -7 1 2 4
70.95 2.07 1.3283 0 4 3 4
71.05 2.86 1.3267 -5 3 3 4
72.31 2.99 1.3068 -3 0 4 2
72.91 2.02 1.2975 -2 1 4 4
73.11 2.05 1.2943 7 1 0 4
74.04 2.63 1.2804 5 1 2 4
74.29 2.60 1.2767 -2 6 2 4
74.31 3.19 1.2764 -4 0 4 2
74.57 1.34 1.2725 5 5 0 4
74.83 8.84 1.2689 0 6 2 4
75.21 1.07 1.2633 -4 1 4 4
76.35 2.13 1.2474 -7 3 1 4
77.34 1.61 1.2338 0 1 4 4
77.89 1.66 1.2265 -3 5 3 4
78.30 6.36 1.2211 3 5 2 4
80.42 1.62 1.1941 -4 6 2 4
80.95 1.36 1.1877 3 3 3 4
81.50 1.34 1.1810 -5 2 4 4
81.99 1.14 1.1752 2 6 2 4
84.66 1.09 1.1448 8 0 0 2
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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.