Mannardite Shi-bin X, Hai-fu F, Xiao-jing W, Fang-hua L Acta Crystallographica A46 (1990) 929-934 Direct methods in superspace. II The first application to an unknown incommensurate modulated structure Note: this is the average structure, isomorphous with hollandite Note: y-coordinate of O2 altered from .248 to make regular TiO6 polyhedra Locality: Shiti barite deposit, Ankang County, Shaanxi, China _database_code_amcsd 0009328 CELL PARAMETERS: 10.1200 10.1200 2.9600 90.000 90.000 90.000 SPACE GROUP: I4/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 303.147 Density (g/cm3): 4.101 MAX. ABS. INTENSITY / VOLUME**2: 33.77733539 RIR: 2.682 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.37 36.09 7.1559 1 1 0 4 17.53 5.40 5.0600 2 0 0 4 24.89 15.44 3.5780 2 2 0 4 27.88 33.96 3.2002 3 1 0 4 27.88 66.04 3.2002 1 3 0 4 31.49 6.05 2.8410 1 0 1 8 35.48 20.10 2.5300 4 0 0 4 36.26 33.18 2.4772 1 2 1 8 36.26 6.64 2.4772 2 1 1 8 39.84 4.92 2.2629 4 2 0 4 39.84 6.67 2.2629 2 4 0 4 40.55 32.43 2.2249 3 0 1 8 44.48 9.95 2.0367 3 2 1 8 45.71 9.95 1.9847 5 1 0 4 45.71 1.20 1.9847 1 5 0 4 48.16 11.14 1.8894 4 1 1 8 51.05 9.91 1.7890 4 4 0 4 54.40 8.97 1.6867 6 0 0 4 54.96 1.66 1.6708 4 3 1 8 58.15 25.17 1.5865 2 5 1 8 58.15 1.27 1.5865 5 2 1 8 62.78 6.67 1.4800 0 0 2 2 64.22 8.13 1.4503 6 1 1 8 65.18 1.02 1.4312 5 5 0 4 67.14 11.47 1.3942 5 4 1 8 68.62 1.22 1.3676 2 2 2 8 70.04 2.83 1.3433 3 1 2 8 70.04 5.36 1.3433 1 3 2 8 70.92 1.66 1.3288 3 7 0 4 70.92 3.78 1.3288 7 3 0 4 74.24 1.20 1.2775 4 0 2 8 76.98 1.06 1.2386 2 4 2 8 76.98 1.36 1.2386 4 2 2 8 81.00 1.00 1.1870 5 6 1 8 81.05 1.78 1.1864 5 1 2 8 81.89 1.54 1.1764 5 7 0 4 83.69 1.28 1.1556 1 8 1 8 85.07 2.72 1.1404 4 4 2 8 87.23 1.07 1.1176 1 9 0 4 87.73 2.67 1.1125 6 0 2 8 89.02 1.61 1.0997 3 8 1 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.