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.17-3, after heating at 750 deg C
Locality: Parana, Brazil
_database_code_amcsd 0003149
CELL PARAMETERS: 9.7070 8.9410 5.2470 90.000 108.480 90.000
SPACE GROUP: P2_1/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 431.906
Density (g/cm3): 3.544
MAX. ABS. INTENSITY / VOLUME**2: 11.51414823
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 3.73 6.4140 1 1 0 4
19.28 10.58 4.6032 2 0 0 2
20.02 9.46 4.4346 -1 1 1 4
20.42 3.85 4.3483 0 1 1 4
26.50 1.79 3.3638 -1 2 1 4
26.81 15.90 3.3257 0 2 1 4
27.82 49.55 3.2070 2 2 0 4
29.62 100.00 3.0160 -2 2 1 4
30.65 38.29 2.9165 -3 1 1 4
30.80 48.30 2.9026 3 1 0 4
34.22 1.10 2.6203 -1 0 2 2
34.85 46.26 2.5741 -1 3 1 4
35.10 2.04 2.5569 0 3 1 4
36.10 49.83 2.4882 0 0 2 2
36.53 27.06 2.4597 2 2 1 4
37.35 4.84 2.4079 -2 3 1 4
38.03 3.32 2.3663 1 3 1 4
40.40 12.92 2.2328 3 1 1 4
40.44 3.98 2.2305 1 0 2 2
40.69 2.10 2.2173 -2 2 2 4
41.54 4.41 2.1741 0 2 2 4
41.74 8.59 2.1642 1 1 2 4
42.16 38.42 2.1436 -3 3 1 4
42.27 2.71 2.1380 3 3 0 4
42.78 7.68 2.1136 -4 2 1 4
43.86 1.97 2.0641 -3 2 2 4
44.26 3.24 2.0463 4 2 0 4
44.34 14.87 2.0430 -4 0 2 2
44.43 9.78 2.0390 0 4 1 4
45.09 4.89 2.0107 2 4 0 4
45.55 1.35 1.9916 -4 1 2 4
46.30 4.41 1.9610 -2 4 1 4
46.68 10.76 1.9460 2 0 2 2
48.73 1.75 1.8686 -4 3 1 4
50.01 3.18 1.8237 3 3 1 4
50.61 3.30 1.8034 5 1 0 4
51.15 1.63 1.7858 1 3 2 4
51.20 9.42 1.7843 2 2 2 4
51.31 2.21 1.7806 2 4 1 4
52.10 11.40 1.7554 1 5 0 4
52.96 2.96 1.7289 4 2 1 4
53.95 1.83 1.6995 -1 1 3 4
54.56 3.58 1.6819 -2 4 2 4
54.90 3.57 1.6723 -3 1 3 4
55.24 1.34 1.6628 0 4 2 4
55.37 5.00 1.6592 3 1 2 4
56.55 18.34 1.6273 -2 2 3 4
56.64 26.05 1.6249 -5 3 1 4
59.77 3.61 1.5471 -3 5 1 4
59.86 5.26 1.5450 3 5 0 4
59.97 6.60 1.5426 -6 0 2 2
60.32 5.89 1.5344 6 0 0 2
61.52 4.99 1.5073 -2 3 3 4
62.00 14.46 1.4969 -1 3 3 4
62.31 13.32 1.4902 0 6 0 2
62.87 2.35 1.4782 -3 3 3 4
62.92 1.24 1.4770 -1 5 2 4
63.12 5.23 1.4728 4 0 2 2
63.37 2.07 1.4677 2 4 2 4
63.83 3.05 1.4583 -6 2 2 4
64.13 1.83 1.4521 0 5 2 4
65.87 5.17 1.4179 -3 5 2 4
66.13 2.17 1.4131 3 5 1 4
67.08 1.88 1.3952 1 5 2 4
67.33 27.82 1.3906 5 3 1 4
68.12 3.44 1.3766 -2 4 3 4
68.23 5.14 1.3745 1 3 3 4
68.59 1.15 1.3683 -7 1 1 4
69.28 1.81 1.3562 2 2 3 4
69.44 1.98 1.3534 -7 0 2 2
70.35 6.72 1.3382 -7 1 2 4
70.71 4.68 1.3323 -5 3 3 4
70.72 1.36 1.3321 0 4 3 4
72.35 2.25 1.3061 -3 0 4 2
72.66 1.86 1.3012 7 1 0 4
73.20 1.20 1.2930 6 2 1 4
73.24 1.63 1.2924 -3 1 4 4
73.80 1.09 1.2839 3 1 3 4
73.85 1.66 1.2832 5 1 2 4
74.17 10.67 1.2784 0 6 2 4
74.29 4.26 1.2768 -4 0 4 2
75.64 1.15 1.2573 -2 2 4 4
76.09 1.28 1.2509 4 6 0 4
76.58 2.10 1.2441 0 0 4 2
77.40 1.61 1.2330 -3 5 3 4
77.80 7.08 1.2277 3 5 2 4
79.63 2.20 1.2039 -4 6 2 4
81.32 1.04 1.1832 -5 2 4 4
81.32 1.78 1.1831 2 6 2 4
82.25 1.06 1.1721 7 1 1 4
82.73 1.02 1.1666 -8 2 1 4
83.00 1.71 1.1635 -6 0 4 2
84.12 1.57 1.1508 8 0 0 2
89.67 1.42 1.0934 -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.