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.17-5, after heating at 850 deg C
Locality: Parana, Brazil
_database_code_amcsd 0003151
CELL PARAMETERS: 9.7110 8.9440 5.2490 90.000 108.490 90.000
SPACE GROUP: P2_1/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 432.369
Density (g/cm3): 3.543
MAX. ABS. INTENSITY / VOLUME**2: 11.72433221
RIR: 1.077
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
13.80 4.28 6.4162 1 1 0 4
19.28 10.18 4.6049 2 0 0 2
20.01 8.20 4.4364 -1 1 1 4
20.42 3.86 4.3497 0 1 1 4
26.49 1.82 3.3650 -1 2 1 4
26.80 15.00 3.3267 0 2 1 4
27.81 47.51 3.2081 2 2 0 4
29.61 100.00 3.0172 -2 2 1 4
30.64 36.36 2.9178 -3 1 1 4
30.79 48.62 2.9036 3 1 0 4
34.21 1.10 2.6213 -1 0 2 2
34.84 45.24 2.5750 -1 3 1 4
35.08 2.06 2.5577 0 3 1 4
36.09 49.12 2.4890 0 0 2 2
36.52 27.14 2.4604 2 2 1 4
37.33 5.01 2.4088 -2 3 1 4
38.02 3.31 2.3670 1 3 1 4
40.38 12.39 2.2335 3 1 1 4
40.43 4.07 2.2312 1 0 2 2
40.67 1.85 2.2182 -2 2 2 4
41.52 4.23 2.1749 0 2 2 4
41.72 8.69 2.1649 1 1 2 4
42.14 37.76 2.1444 -3 3 1 4
42.26 2.72 2.1387 3 3 0 4
42.76 7.74 2.1145 -4 2 1 4
43.84 1.92 2.0650 -3 2 2 4
44.25 3.02 2.0470 4 2 0 4
44.32 14.62 2.0439 -4 0 2 2
44.41 9.54 2.0397 0 4 1 4
45.07 4.44 2.0114 2 4 0 4
45.52 1.37 1.9925 -4 1 2 4
46.28 4.49 1.9617 -2 4 1 4
46.66 10.51 1.9466 2 0 2 2
48.71 1.75 1.8694 -4 3 1 4
50.00 3.17 1.8243 3 3 1 4
50.60 3.23 1.8041 5 1 0 4
51.13 1.62 1.7863 1 3 2 4
51.18 9.10 1.7848 2 2 2 4
51.29 2.23 1.7812 2 4 1 4
52.08 11.48 1.7560 1 5 0 4
52.94 3.03 1.7295 4 2 1 4
53.93 1.70 1.7001 -1 1 3 4
54.54 3.40 1.6825 -2 4 2 4
54.88 3.40 1.6730 -3 1 3 4
55.22 1.44 1.6634 0 4 2 4
55.36 5.00 1.6597 3 1 2 4
56.53 18.25 1.6279 -2 2 3 4
56.62 25.65 1.6256 -5 3 1 4
59.75 3.50 1.5477 -3 5 1 4
59.84 5.24 1.5456 3 5 0 4
59.94 6.42 1.5433 -6 0 2 2
60.30 5.94 1.5350 6 0 0 2
61.50 5.14 1.5078 -2 3 3 4
61.97 14.06 1.4974 -1 3 3 4
62.28 13.12 1.4907 0 6 0 2
62.84 2.31 1.4788 -3 3 3 4
62.90 1.27 1.4775 -1 5 2 4
63.10 5.14 1.4732 4 0 2 2
63.35 1.91 1.4682 2 4 2 4
63.80 2.98 1.4589 -6 2 2 4
64.11 1.92 1.4526 0 5 2 4
65.84 5.21 1.4184 -3 5 2 4
66.10 1.02 1.4136 -5 2 3 4
66.10 2.11 1.4135 3 5 1 4
67.06 1.86 1.3956 1 5 2 4
67.31 27.57 1.3911 5 3 1 4
68.09 3.46 1.3771 -2 4 3 4
68.21 5.04 1.3749 1 3 3 4
68.55 1.08 1.3688 -7 1 1 4
69.26 1.81 1.3566 2 2 3 4
69.41 2.04 1.3540 -7 0 2 2
70.32 6.75 1.3388 -7 1 2 4
70.68 4.62 1.3328 -5 3 3 4
70.70 1.34 1.3325 0 4 3 4
72.32 2.30 1.3066 -3 0 4 2
72.63 1.87 1.3017 7 1 0 4
73.18 1.20 1.2934 6 2 1 4
73.21 1.64 1.2929 -3 1 4 4
73.78 1.04 1.2843 3 1 3 4
73.83 1.66 1.2835 5 1 2 4
74.14 10.62 1.2789 0 6 2 4
74.25 4.18 1.2773 -4 0 4 2
75.60 1.10 1.2577 -2 2 4 4
76.06 1.26 1.2513 4 6 0 4
76.55 2.07 1.2445 0 0 4 2
77.37 1.59 1.2334 -3 5 3 4
77.77 7.12 1.2281 3 5 2 4
79.60 2.16 1.2044 -4 6 2 4
81.28 1.07 1.1837 -5 2 4 4
81.29 1.72 1.1835 2 6 2 4
82.22 1.00 1.1725 7 1 1 4
82.69 1.04 1.1670 -8 2 1 4
82.95 1.68 1.1640 -6 0 4 2
84.08 1.55 1.1512 8 0 0 2
89.62 1.43 1.0939 -8 2 3 4
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.