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.