Sitinakite Thorogood G J, Kennedy B J, Griffith C S, Elcombe M E, Avdeev M, Hanna J V, Thorogood S K, Luca V Chemistry of Materials 22 (2010) 4222-4231 Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Locality: synthetic Note: T = 573 K dehydrated sample _database_code_amcsd 0012224 CELL PARAMETERS: 10.6772 10.6772 11.8850 90.000 90.000 90.000 SPACE GROUP: P4_2/mbc X-RAY WAVELENGTH: 1.541838 Cell Volume: 1354.921 Density (g/cm3): 3.827 MAX. ABS. INTENSITY / VOLUME**2: 16.66420715 RIR: 1.418 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.72 13.95 7.5499 1 1 0 4 14.91 100.00 5.9425 0 0 2 2 16.61 2.11 5.3386 2 0 0 4 18.22 18.21 4.8699 2 0 1 8 18.58 3.43 4.7750 2 1 0 8 23.57 24.27 3.7750 2 2 0 4 23.91 13.89 3.7222 2 1 2 16 27.46 32.96 3.2479 3 1 1 16 28.05 21.87 3.1814 2 0 3 8 29.29 15.65 3.0489 2 1 3 16 30.08 3.00 2.9713 0 0 4 2 30.18 7.76 2.9613 3 2 0 8 30.45 6.15 2.9357 3 1 2 16 31.12 12.38 2.8735 3 2 1 16 32.38 30.76 2.7648 1 1 4 8 33.82 9.85 2.6505 3 2 2 16 34.44 4.57 2.6044 4 0 1 8 34.55 12.69 2.5962 2 0 4 8 34.64 46.06 2.5896 4 1 0 8 34.91 4.81 2.5697 3 1 3 16 35.59 7.74 2.5227 2 1 4 16 35.68 30.67 2.5166 3 3 0 4 36.92 1.22 2.4349 4 0 2 8 37.68 19.90 2.3875 4 2 0 8 37.90 12.24 2.3740 4 1 2 16 37.93 1.50 2.3719 3 2 3 16 38.56 12.39 2.3348 2 2 4 8 38.86 7.10 2.3174 3 3 2 8 40.73 1.31 2.2154 4 2 2 16 41.67 10.91 2.1676 4 1 3 16 42.32 6.82 2.1354 4 3 0 8 42.48 1.08 2.1279 2 1 5 16 43.13 5.13 2.0975 3 2 4 16 43.90 4.36 2.0622 5 1 1 16 44.30 1.69 2.0449 4 2 3 16 45.69 1.61 1.9857 4 0 4 8 45.76 5.62 1.9827 5 2 0 8 45.81 18.22 1.9808 0 0 6 2 46.52 7.37 1.9522 4 1 4 16 46.74 1.89 1.9437 3 1 5 16 47.34 1.04 1.9204 3 3 4 8 47.45 4.71 1.9160 1 1 6 8 48.21 4.02 1.8875 4 4 0 4 48.40 4.10 1.8808 5 2 2 16 48.94 3.03 1.8611 4 2 4 16 49.05 3.09 1.8571 2 0 6 8 49.15 2.89 1.8537 3 2 5 16 49.80 1.93 1.8311 5 3 0 8 49.84 6.11 1.8296 2 1 6 16 51.34 1.18 1.7795 6 0 0 4 51.54 4.08 1.7731 5 2 3 16 51.96 1.06 1.7599 6 0 1 8 52.10 1.46 1.7553 6 1 0 8 52.71 1.04 1.7365 6 1 1 16 52.79 3.86 1.7341 4 3 4 16 53.54 1.09 1.7116 5 1 4 16 54.47 1.37 1.6845 4 2 5 16 54.93 1.48 1.6714 6 2 1 16 55.07 1.48 1.6675 5 4 0 8 55.74 6.35 1.6492 5 2 4 16 56.91 1.04 1.6180 2 0 7 8 57.39 1.44 1.6055 5 4 2 16 57.42 1.07 1.6048 6 1 3 16 57.94 4.41 1.5917 6 3 0 8 59.28 10.77 1.5589 5 3 4 16 60.21 4.13 1.5369 5 4 3 16 60.76 6.34 1.5245 4 2 6 16 61.09 4.16 1.5169 3 1 7 16 61.34 10.26 1.5113 6 1 4 16 61.40 4.36 1.5100 7 1 0 8 61.40 2.39 1.5100 5 5 0 4 61.95 1.02 1.4979 7 1 1 16 63.29 1.21 1.4693 6 4 1 16 63.36 1.27 1.4678 6 2 4 16 63.42 8.90 1.4666 7 2 0 8 63.58 2.42 1.4635 5 5 2 8 63.96 2.41 1.4556 7 2 1 16 64.13 7.79 1.4522 4 3 6 16 64.79 1.54 1.4390 5 1 6 16 65.11 2.39 1.4326 4 0 7 8 65.18 1.70 1.4312 2 0 8 8 65.56 3.74 1.4239 7 2 2 16 65.84 1.66 1.4186 2 1 8 16 66.24 4.31 1.4110 7 1 3 16 66.75 3.37 1.4013 5 2 6 16 67.54 1.13 1.3870 6 4 3 16 67.79 1.96 1.3824 2 2 8 8 68.69 3.12 1.3665 4 4 6 8 69.17 1.09 1.3581 6 5 1 16 69.88 1.37 1.3461 5 5 4 8 69.97 7.33 1.3446 5 3 6 16 71.20 2.09 1.3243 8 1 0 8 71.37 1.23 1.3217 7 3 3 16 71.86 1.78 1.3137 6 1 6 16 73.08 3.71 1.2948 8 2 0 8 73.25 1.92 1.2923 6 5 3 16 73.49 1.99 1.2886 4 1 8 16 74.11 1.14 1.2793 3 3 8 8 74.89 2.53 1.2679 7 3 4 16 75.09 3.22 1.2651 8 2 2 16 78.42 1.31 1.2195 4 3 8 16 79.18 1.03 1.2096 7 4 4 16 79.88 1.90 1.2009 7 1 6 16 81.69 1.53 1.1787 7 2 6 16 82.09 1.23 1.1740 1 1 10 8 83.86 2.12 1.1537 5 3 8 16 84.70 1.56 1.1444 7 3 6 16 87.99 1.04 1.1099 7 2 7 16 88.29 1.10 1.1068 8 0 6 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.