Hollandite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern from R060379 Michiue Y Acta Crystallographica B63 (2007) 577-583 Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 (A = K, Rb) Locality: synthetic Sample: 1 CELL PARAMETERS: 9.970011 9.970011 2.861266 90.00000 90.00000 90.00000 SPACE GROUP: I4/m ATOM X Y Z OCCUPANCY ISO(B) Na 0.00000 0.00000 0.50000 0.190 3.079 Na 0.00000 0.00000 0.30500 0.294 3.948 Mn 0.35089 0.16762 0.00000 1.000 0.606 O 0.15533 0.20505 0.00000 1.000 0.542 O 0.54050 0.16559 0.00000 1.000 0.653 X-RAY WAVELENGTH: 0.710730 BOUNDS ON TWO THETA: 0.0 65.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 14 +/- 14 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 153.4408228 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 5.88 91.74 7.0499 1 1 0 8.27 85.74 4.9850 2 0 0 11.66 6.75 3.5249 2 2 0 13.03 23.07 3.1528 3 1 0 13.03 76.93 3.1528 1 3 0 16.48 26.15 2.4925 4 0 0 17.05 59.70 2.4081 2 1 1 17.05 33.00 2.4081 1 2 1 17.48 11.59 2.3500 3 3 0 18.42 3.29 2.2294 4 2 0 18.42 6.93 2.2294 2 4 0 18.94 27.98 2.1683 3 0 1 20.66 2.62 1.9884 3 2 1 21.02 3.01 1.9553 5 1 0 21.02 6.98 1.9553 1 5 0 22.26 24.52 1.8469 4 1 1 22.26 26.40 1.8469 1 4 1 23.33 2.16 1.7625 4 4 0 24.06 1.84 1.7098 3 5 0 24.76 28.35 1.6617 6 0 0 25.16 6.23 1.6359 5 0 1 25.16 3.19 1.6359 3 4 1 26.12 4.46 1.5764 6 2 0 26.49 35.09 1.5544 2 5 1 26.49 22.12 1.5544 5 2 1 28.82 12.05 1.4306 0 0 2 28.99 3.60 1.4222 6 1 1 29.42 3.13 1.4021 1 1 2 29.25 4.99 1.4100 1 7 0 30.01 5.20 1.3751 2 0 2 29.84 4.64 1.3826 4 6 0 30.17 29.49 1.3677 5 4 1 30.17 9.15 1.3677 4 5 1 31.71 1.72 1.3028 3 1 2 31.71 6.93 1.3028 1 3 2 31.55 5.46 1.3091 7 3 0 31.55 2.58 1.3091 3 7 0 33.33 6.13 1.2408 4 0 2 33.48 3.47 1.2353 2 7 1 33.86 4.61 1.2220 3 3 2 35.25 3.68 1.1750 6 6 0 35.54 2.50 1.1658 6 5 1 35.89 2.22 1.1546 1 5 2 35.75 2.23 1.1590 7 5 0 36.53 2.40 1.1351 7 4 1 36.53 3.72 1.1351 8 1 1 37.70 4.28 1.1010 1 9 0 38.30 8.59 1.0842 6 0 2 38.44 1.18 1.0805 3 8 1 39.23 2.33 1.0594 6 2 2 39.56 1.35 1.0509 9 3 0 39.56 1.52 1.0509 3 9 0 41.16 2.11 1.0116 6 7 1 41.16 1.08 1.0116 9 2 1 41.47 2.72 1.0042 1 7 2 41.91 2.79 0.9942 4 6 2 41.79 1.62 0.9970 10 0 0 42.04 2.99 0.9914 5 8 1 42.04 2.27 0.9914 8 5 1 42.65 1.36 0.9776 10 2 0 43.20 2.53 0.9658 7 3 2 43.20 1.11 0.9658 3 7 2 44.81 2.04 0.9327 2 1 3 46.10 1.99 0.9080 6 6 2 46.50 1.57 0.9006 7 5 2 47.24 1.09 0.8872 4 1 3 47.24 1.32 0.8872 1 4 3 48.08 2.59 0.8725 1 9 2 47.97 1.69 0.8744 7 9 0 48.58 1.12 0.8640 11 0 1 49.13 1.09 0.8549 10 6 0 49.57 1.66 0.8479 5 2 3 49.57 2.28 0.8479 2 5 3 49.35 1.82 0.8514 5 10 1 49.35 2.67 0.8514 2 11 1 49.62 1.10 0.8470 9 3 2 49.62 1.22 0.8470 3 9 2 51.50 1.35 0.8180 10 0 2 51.82 2.50 0.8133 5 4 3 51.61 2.87 0.8164 11 4 1 55.23 1.02 0.7666 6 11 1 56.88 1.44 0.7461 7 9 2 57.91 1.06 0.7339 10 6 2 57.91 1.06 0.7339 10 6 2 XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.