Biotite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050068 Brigatti M F, Galli E, Poppi L American Mineralogist 76 (1991) 1174-1183 Effect of Ti substitution in biotite-M crystal chemistry Sample 8 from a lamproite rock, Puebla De Mula, Spain CELL PARAMETERS: 5.3150 9.1790 10.1737 90.000 100.080 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Si 0.07560 0.16680 0.22690 0.714 1.111 Al 0.07560 0.16680 0.22690 0.286 1.111 K 0.00000 0.50000 0.00000 0.955 3.025 Ca 0.00000 0.50000 0.00000 0.030 3.025 Na 0.00000 0.50000 0.00000 0.015 3.025 Mg 0.00000 0.00000 0.50000 0.722 1.020 Al 0.00000 0.00000 0.50000 0.075 1.020 Cr 0.00000 0.00000 0.50000 0.016 1.020 Fe 0.00000 0.00000 0.50000 0.130 1.020 Mn 0.00000 0.00000 0.50000 0.007 1.020 Ti 0.00000 0.00000 0.50000 0.048 1.020 Mg 0.00000 0.33470 0.50000 0.722 1.405 Al 0.00000 0.33470 0.50000 0.075 1.405 Cr 0.00000 0.33470 0.50000 0.016 1.405 Fe 0.00000 0.33470 0.50000 0.130 1.405 Mn 0.00000 0.33470 0.50000 0.007 1.405 Ti 0.00000 0.33470 0.50000 0.048 1.405 O 0.01710 0.00000 0.16970 1.000 1.922 O 0.32560 0.23110 0.16920 1.000 1.888 O 0.13130 0.16730 0.39140 1.000 1.254 O 0.13110 0.50000 0.39790 1.000 1.316 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 8 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 10.48485952 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.83 100.00 10.0167 0 0 1 19.34 8.80 4.5895 0 2 0 19.53 11.82 4.5461 1 1 0 20.19 2.52 4.3990 -1 1 1 22.68 12.57 3.9214 1 1 1 24.36 30.38 3.6540 -1 1 2 26.34 39.70 3.3837 0 2 2 26.70 38.27 3.3389 0 0 3 28.45 35.85 3.1371 1 1 2 30.72 24.45 2.9105 -1 1 3 33.18 11.94 2.7000 0 2 3 33.86 3.37 2.6474 -2 0 1 33.94 6.81 2.6413 1 3 0 34.27 24.01 2.6165 2 0 0 34.34 47.76 2.6115 -1 3 1 35.70 4.42 2.5148 1 1 3 35.86 5.66 2.5042 0 0 4 35.92 1.66 2.5001 1 3 1 37.00 13.86 2.4297 2 0 1 37.05 27.71 2.4264 -1 3 2 39.26 2.09 2.2947 0 4 0 39.29 3.86 2.2932 -2 2 1 39.65 4.54 2.2730 2 2 0 39.88 2.68 2.2605 -2 0 3 39.97 5.29 2.2555 1 3 2 40.32 4.16 2.2368 0 4 1 41.04 3.91 2.1995 -2 2 2 41.65 11.41 2.1685 2 0 2 41.68 22.65 2.1667 -1 3 3 42.08 2.64 2.1473 2 2 1 43.37 1.45 2.0862 0 4 2 45.26 7.05 2.0033 0 0 5 45.55 5.64 1.9916 -2 0 4 45.64 11.03 1.9878 1 3 3 47.77 1.81 1.9040 2 0 3 47.79 3.63 1.9031 -1 3 4 52.00 1.03 1.7587 2 2 3 52.53 1.09 1.7420 1 3 4 54.26 1.80 1.6906 1 5 1 55.02 9.04 1.6691 2 0 4 55.03 18.01 1.6687 -1 3 5 55.05 3.14 1.6683 2 4 1 55.94 4.23 1.6437 -3 1 3 55.97 1.79 1.6428 3 1 1 57.20 2.28 1.6104 -2 4 3 57.27 3.50 1.6086 1 5 2 58.57 2.56 1.5761 2 4 2 58.59 2.02 1.5754 -1 5 3 59.94 1.07 1.5433 -3 1 4 59.99 1.22 1.5422 3 1 2 60.32 4.78 1.5344 -2 0 6 60.37 20.41 1.5332 -3 3 1 60.41 9.49 1.5323 1 3 5 60.52 10.05 1.5298 0 6 0 61.14 2.72 1.5157 -3 3 2 61.16 2.77 1.5154 3 3 0 61.30 2.74 1.5123 0 6 1 63.20 1.11 1.4712 2 0 5 63.21 2.20 1.4711 -1 3 6 65.20 1.39 1.4310 0 0 7 66.77 1.44 1.4010 2 2 5 69.08 5.09 1.3596 -2 0 7 69.18 10.07 1.3581 1 3 6 69.65 1.99 1.3500 0 4 6 71.01 1.15 1.3274 -4 0 1 71.18 2.30 1.3246 -2 6 1 71.24 2.95 1.3237 -4 0 2 71.43 5.88 1.3207 2 6 0 72.23 2.71 1.3080 -3 3 5 72.28 2.73 1.3071 3 3 3 72.39 2.73 1.3055 0 6 4 72.51 2.03 1.3036 -2 2 7 72.89 2.11 1.2977 -4 0 3 73.10 4.17 1.2946 2 6 1 74.82 1.22 1.2690 4 0 1 74.96 2.44 1.2670 -2 6 3 75.63 1.75 1.2574 2 2 6 76.01 1.32 1.2521 0 0 8 76.48 1.17 1.2455 -1 7 2 77.20 1.62 1.2356 -3 5 3 78.14 1.32 1.2231 4 2 1 86.01 2.28 1.1302 -4 0 6 86.25 4.53 1.1278 2 6 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.