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 = 20 K with neutron _database_code_amcsd 0012222 CELL PARAMETERS: 7.8800 7.8800 11.9530 90.000 90.000 90.000 SPACE GROUP: P4_2/mcm X-RAY WAVELENGTH: 1.541838 Cell Volume: 742.214 Density (g/cm3): 2.638 MAX. ABS. INTENSITY / VOLUME**2: 19.80439265 RIR: 2.444 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.23 100.00 7.8800 1 0 0 4 14.82 27.18 5.9765 0 0 2 2 15.91 2.15 5.5720 1 1 0 4 17.56 24.04 5.0502 1 1 1 8 18.63 4.25 4.7618 1 0 2 8 22.57 1.31 3.9400 2 0 0 4 25.27 7.54 3.5240 2 1 0 8 26.37 27.15 3.3802 2 1 1 16 27.11 3.59 3.2895 2 0 2 8 27.52 37.85 3.2410 1 1 3 8 29.42 1.28 3.0356 2 1 2 16 32.03 6.93 2.7941 1 0 4 8 32.13 15.41 2.7860 2 2 0 4 33.96 5.41 2.6397 2 1 3 16 34.04 9.06 2.6334 1 1 4 8 34.13 24.44 2.6267 3 0 0 4 36.04 17.43 2.4919 3 1 0 8 36.85 5.36 2.4394 3 1 1 16 37.40 3.80 2.4047 3 0 2 8 37.78 7.21 2.3809 2 0 4 8 39.47 1.32 2.2832 2 2 3 8 44.46 3.64 2.0378 2 2 4 8 45.53 11.35 1.9922 0 0 6 2 46.00 5.58 1.9729 3 0 4 8 46.07 5.43 1.9700 4 0 0 4 47.05 4.98 1.9314 1 0 6 8 47.51 1.44 1.9138 3 1 4 16 47.58 5.62 1.9112 4 1 0 8 48.22 4.63 1.8872 4 1 1 16 48.67 3.46 1.8710 4 0 2 8 49.05 1.15 1.8573 3 3 0 4 51.40 1.27 1.7778 2 0 6 8 51.83 1.34 1.7641 3 2 4 16 51.89 3.70 1.7620 4 2 0 8 52.49 2.69 1.7432 4 2 1 16 53.15 2.49 1.7232 4 1 3 16 55.90 10.49 1.6447 4 0 4 8 56.35 2.30 1.6326 1 1 7 8 57.16 4.99 1.6115 4 2 3 16 58.11 5.33 1.5873 3 0 6 8 58.51 4.55 1.5775 3 3 4 8 58.57 4.00 1.5760 4 3 0 8 59.40 1.03 1.5560 3 1 6 16 60.22 4.98 1.5367 2 1 7 16 60.40 3.80 1.5326 5 1 1 16 63.95 1.00 1.4559 2 2 7 8 64.12 1.92 1.4524 5 2 1 16 64.70 3.70 1.4408 5 1 3 16 66.78 5.92 1.4008 4 0 6 8 67.15 1.17 1.3940 4 3 4 16 67.20 5.23 1.3930 4 4 0 4 67.97 2.06 1.3792 4 1 6 16 68.28 2.21 1.3736 5 2 3 16 68.33 2.07 1.3727 5 1 4 16 69.15 2.02 1.3585 3 3 6 8 69.56 1.73 1.3514 5 3 0 8 71.89 1.91 1.3133 6 0 0 4 73.97 2.12 1.2814 3 1 8 16 74.52 1.67 1.2734 4 1 7 16 77.18 2.51 1.2360 4 3 6 16 77.91 1.41 1.2262 4 2 7 16 81.94 1.30 1.1758 5 4 3 16 82.03 1.30 1.1747 6 3 0 8 84.19 1.52 1.1500 6 2 4 16 84.57 2.20 1.1458 5 1 7 16 84.95 1.81 1.1416 4 4 6 8 87.87 1.72 1.1111 5 2 7 16 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.