Phengite Pavese A, Ferraris G, Pischedda V, Ibberson R European Journal of Mineralogy 11 (1999) 309-320 Tetrahedral order in phengite 2M_1 upon heating, from powder neutron diffraction, and thermodynamic consequences Sample: T = 293 K Note: O5 z-coordinate altered. _database_code_amcsd 0006768 CELL PARAMETERS: 5.2140 9.0521 19.9968 90.000 95.736 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 939.071 Density (g/cm3): 2.887 MAX. ABS. INTENSITY / VOLUME**2: 5.069207788 RIR: 0.572 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.89 100.00 9.9483 0 0 2 2 17.83 11.84 4.9742 0 0 4 2 19.61 5.35 4.5261 0 2 0 2 19.72 23.77 4.5011 1 1 0 4 19.84 71.73 4.4744 -1 1 1 4 20.12 8.32 4.4133 0 2 1 4 20.61 15.20 4.3104 1 1 1 4 21.57 17.65 4.1197 0 2 2 4 22.37 6.37 3.9735 1 1 2 4 22.90 42.05 3.8841 -1 1 3 4 23.80 34.23 3.7385 0 2 3 4 24.85 1.12 3.5828 1 1 3 4 25.51 58.76 3.4915 -1 1 4 4 26.63 45.28 3.3476 0 2 4 4 26.89 52.64 3.3161 0 0 6 2 27.86 54.23 3.2022 1 1 4 4 28.62 4.45 3.1185 -1 1 5 4 29.90 56.64 2.9885 0 2 5 4 31.27 40.49 2.8607 1 1 5 4 32.11 28.51 2.7877 -1 1 6 4 34.38 2.71 2.6083 1 3 0 4 34.45 25.22 2.6031 -1 3 1 4 34.58 13.38 2.5939 2 0 0 2 34.86 36.90 2.5736 -2 0 2 2 34.92 69.06 2.5696 1 3 1 4 34.97 9.99 2.5657 1 1 6 4 35.87 7.56 2.5033 -1 1 7 4 36.11 6.20 2.4871 0 0 8 2 36.37 9.86 2.4700 -1 3 3 4 36.67 4.99 2.4509 2 0 2 2 37.36 2.38 2.4071 0 2 7 4 37.47 15.73 2.4004 -2 0 4 2 37.69 34.36 2.3868 1 3 3 4 39.83 1.14 2.2630 0 4 0 2 39.92 7.48 2.2582 -2 2 1 4 40.06 1.93 2.2505 2 2 0 4 40.10 4.29 2.2485 0 4 1 4 40.38 5.79 2.2335 -1 3 5 4 40.74 7.36 2.2149 2 2 1 4 40.81 2.40 2.2112 2 0 4 2 40.90 3.13 2.2067 0 4 2 4 41.23 8.15 2.1897 -2 2 3 4 41.92 3.38 2.1552 2 2 2 4 42.02 14.30 2.1501 -2 0 6 2 42.19 3.72 2.1418 0 4 3 4 42.38 30.39 2.1329 1 3 5 4 43.57 3.29 2.0771 2 2 3 4 43.96 6.66 2.0599 0 4 4 4 44.50 1.87 2.0361 -2 2 5 4 45.59 20.32 1.9897 0 0 10 2 46.03 15.39 1.9718 -1 3 7 4 46.56 7.53 1.9507 2 0 6 2 46.78 2.08 1.9421 -2 2 6 4 48.09 1.23 1.8922 -2 0 8 2 48.54 1.69 1.8754 1 3 7 4 48.71 2.44 1.8692 0 4 6 4 50.08 1.09 1.8214 0 2 10 4 51.63 1.11 1.7704 0 4 7 4 52.41 2.88 1.7458 -2 2 8 4 52.93 7.05 1.7299 -1 3 9 4 53.53 2.79 1.7118 2 0 8 2 53.75 3.22 1.7053 2 4 0 4 53.99 1.23 1.6983 1 5 1 4 54.13 1.37 1.6944 2 2 7 4 54.43 2.59 1.6857 -3 1 3 4 54.69 1.65 1.6784 -2 4 3 4 55.25 4.28 1.6627 2 4 2 4 55.31 13.91 1.6609 -2 0 10 2 55.79 3.68 1.6477 3 1 2 4 55.83 2.62 1.6466 -2 4 4 4 55.85 27.72 1.6462 1 3 9 4 56.00 1.40 1.6422 1 5 3 4 56.33 6.79 1.6332 -1 5 4 4 56.60 1.65 1.6260 2 4 3 4 56.81 6.60 1.6207 -3 1 5 4 57.30 3.05 1.6080 3 1 3 4 57.37 4.87 1.6061 -2 4 5 4 57.57 2.38 1.6011 2 2 8 4 57.59 3.63 1.6004 1 5 4 4 58.58 2.78 1.5759 -3 1 6 4 59.18 4.92 1.5612 3 1 4 4 59.26 1.81 1.5592 -2 2 10 4 59.28 3.36 1.5587 -2 4 6 4 59.56 2.20 1.5521 1 5 5 4 60.07 3.09 1.5402 -1 5 6 4 60.45 2.01 1.5314 2 4 5 4 60.84 13.65 1.5226 -1 3 11 4 61.23 1.27 1.5139 1 1 12 4 61.46 13.85 1.5087 0 6 0 2 61.51 6.16 1.5076 2 0 10 2 61.58 28.39 1.5059 -3 3 1 4 61.65 1.01 1.5044 0 6 1 4 61.88 2.11 1.4994 1 5 6 4 62.24 1.70 1.4916 0 6 2 4 62.25 1.48 1.4915 -3 3 3 4 62.48 2.03 1.4865 3 3 1 4 62.90 2.61 1.4775 2 4 6 4 63.09 1.07 1.4736 -2 2 11 4 63.50 1.20 1.4651 -2 0 12 2 64.11 2.67 1.4526 1 3 11 4 64.24 2.05 1.4499 0 2 13 4 65.23 2.61 1.4304 2 2 10 4 65.70 1.31 1.4212 0 0 14 2 65.99 1.11 1.4157 -3 1 9 4 66.13 1.43 1.4129 0 4 11 4 66.17 1.36 1.4122 1 1 13 4 69.43 3.35 1.3537 2 2 11 4 69.65 14.43 1.3500 -1 3 13 4 70.38 6.83 1.3377 2 0 12 2 70.39 4.94 1.3375 0 4 12 4 71.47 3.38 1.3199 -2 2 13 4 72.38 1.40 1.3056 -2 6 1 4 72.47 4.34 1.3041 2 6 0 4 72.53 1.11 1.3034 -1 1 15 4 72.56 2.75 1.3029 -4 0 2 2 72.64 8.51 1.3015 -2 6 2 4 72.94 4.20 1.2970 4 0 0 2 73.09 4.94 1.2947 -3 3 9 4 73.27 1.11 1.2920 1 3 13 4 73.40 3.93 1.2899 0 6 8 4 73.95 4.97 1.2818 3 3 7 4 74.25 4.14 1.2773 -2 6 4 4 74.75 2.55 1.2699 4 0 2 2 74.90 2.16 1.2678 0 4 13 4 75.86 2.71 1.2542 -1 7 1 4 76.04 1.65 1.2516 -2 2 14 4 76.08 1.74 1.2510 -4 0 6 2 76.43 3.05 1.2462 2 6 4 4 76.49 1.54 1.2453 -3 5 3 4 76.62 2.26 1.2435 0 0 16 2 77.00 1.32 1.2384 -1 7 3 4 77.64 1.65 1.2298 3 5 2 4 77.81 1.63 1.2275 1 7 3 4 78.09 2.69 1.2238 -4 2 5 4 78.50 1.02 1.2184 -3 5 5 4 78.58 1.97 1.2174 2 2 13 4 79.18 1.33 1.2097 1 7 4 4 79.36 1.57 1.2074 -3 3 11 4 79.77 1.16 1.2022 0 6 10 4 80.03 1.26 1.1990 -3 5 6 4 80.41 1.30 1.1943 3 3 9 4 80.55 2.09 1.1925 3 5 4 4 80.86 1.15 1.1887 -2 2 15 4 80.88 1.18 1.1885 1 7 5 4 81.35 1.05 1.1829 4 2 4 4 81.45 1.39 1.1817 3 1 11 4 83.45 1.38 1.1583 -1 7 7 4 86.15 2.00 1.1288 -2 4 14 4 87.31 5.75 1.1168 -2 6 10 4 88.42 3.17 1.1056 4 0 8 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.