Pigeonite
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
American Mineralogist 88 (2003) 1115-1128
Coupling between non-convergent ordering and transition temperature
in the C2/c - P2_1/c phase transition in pigeonite
Sample: BTS-308 n.17-2, after heating at 700 deg C
Locality: Parana, Brazil
_database_code_amcsd 0003148
CELL PARAMETERS: 9.7080 8.9410 5.2440 90.000 108.520 90.000
SPACE GROUP: P2_1/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 431.603
Density (g/cm3): 3.548
MAX. ABS. INTENSITY / VOLUME**2: 11.52440165
RIR: 1.058
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
13.81 3.59 6.4136 1 1 0 4
19.28 10.60 4.6026 2 0 0 2
20.03 9.78 4.4335 -1 1 1 4
20.44 3.90 4.3456 0 1 1 4
26.50 1.79 3.3633 -1 2 1 4
26.82 16.08 3.3245 0 2 1 4
27.82 50.13 3.2068 2 2 0 4
29.62 100.00 3.0161 -2 2 1 4
30.65 38.84 2.9169 -3 1 1 4
30.81 48.33 2.9023 3 1 0 4
34.24 1.08 2.6187 -1 0 2 2
34.86 46.69 2.5739 -1 3 1 4
35.10 2.05 2.5563 0 3 1 4
36.13 49.74 2.4862 0 0 2 2
36.55 27.16 2.4585 2 2 1 4
37.35 4.85 2.4079 -2 3 1 4
38.04 3.31 2.3655 1 3 1 4
40.42 13.10 2.2316 3 1 1 4
40.48 3.98 2.2286 1 0 2 2
40.70 2.14 2.2167 -2 2 2 4
41.56 4.48 2.1728 0 2 2 4
41.77 8.62 2.1625 1 1 2 4
42.15 38.59 2.1437 -3 3 1 4
42.27 2.75 2.1379 3 3 0 4
42.78 7.68 2.1139 -4 2 1 4
43.87 1.98 2.0639 -3 2 2 4
44.27 3.30 2.0461 4 2 0 4
44.34 15.01 2.0431 -4 0 2 2
44.44 9.95 2.0387 0 4 1 4
45.09 4.97 2.0107 2 4 0 4
45.54 1.34 1.9917 -4 1 2 4
46.30 4.41 1.9610 -2 4 1 4
46.72 10.75 1.9444 2 0 2 2
48.73 1.74 1.8688 -4 3 1 4
50.03 3.14 1.8231 3 3 1 4
50.62 3.37 1.8032 5 1 0 4
51.18 1.66 1.7848 1 3 2 4
51.23 9.51 1.7831 2 2 2 4
51.32 2.23 1.7802 2 4 1 4
52.10 11.47 1.7554 1 5 0 4
52.98 2.94 1.7282 4 2 1 4
53.99 1.85 1.6984 -1 1 3 4
54.57 3.63 1.6816 -2 4 2 4
54.92 3.62 1.6718 -3 1 3 4
55.26 1.36 1.6622 0 4 2 4
55.42 5.02 1.6580 3 1 2 4
56.58 18.46 1.6266 -2 2 3 4
56.64 26.31 1.6251 -5 3 1 4
59.77 3.65 1.5472 -3 5 1 4
59.87 5.32 1.5450 3 5 0 4
59.95 6.67 1.5429 -6 0 2 2
60.33 5.94 1.5342 6 0 0 2
61.55 5.04 1.5067 -2 3 3 4
62.03 14.60 1.4961 -1 3 3 4
62.31 13.47 1.4902 0 6 0 2
62.89 2.35 1.4778 -3 3 3 4
62.94 1.24 1.4767 -1 5 2 4
63.17 5.33 1.4718 4 0 2 2
63.40 2.11 1.4670 2 4 2 4
63.82 3.10 1.4585 -6 2 2 4
64.15 1.86 1.4517 0 5 2 4
65.88 5.28 1.4178 -3 5 2 4
66.14 2.21 1.4128 3 5 1 4
67.11 1.88 1.3947 1 5 2 4
67.36 28.18 1.3902 5 3 1 4
68.14 3.49 1.3761 -2 4 3 4
68.28 5.20 1.3736 1 3 3 4
68.58 1.17 1.3684 -7 1 1 4
69.34 1.85 1.3552 2 2 3 4
69.43 2.01 1.3537 -7 0 2 2
70.34 6.84 1.3384 -7 1 2 4
70.71 4.77 1.3322 -5 3 3 4
70.77 1.37 1.3314 0 4 3 4
72.39 2.29 1.3055 -3 0 4 2
72.68 1.89 1.3010 7 1 0 4
73.23 1.21 1.2925 6 2 1 4
73.28 1.69 1.2918 -3 1 4 4
73.87 1.10 1.2829 3 1 3 4
73.91 1.70 1.2824 5 1 2 4
74.19 10.85 1.2782 0 6 2 4
74.32 4.31 1.2763 -4 0 4 2
75.69 1.17 1.2566 -2 2 4 4
76.10 1.31 1.2508 4 6 0 4
76.65 2.14 1.2431 0 0 4 2
77.42 1.63 1.2328 -3 5 3 4
77.83 7.21 1.2272 3 5 2 4
79.63 2.24 1.2039 -4 6 2 4
81.34 1.06 1.1829 -5 2 4 4
81.35 1.78 1.1828 2 6 2 4
82.29 1.08 1.1717 7 1 1 4
82.72 1.04 1.1666 -8 2 1 4
83.01 1.74 1.1634 -6 0 4 2
84.13 1.59 1.1507 8 0 0 2
89.65 1.46 1.0935 -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.