Ti(HPO4)2*(H2O) Salvado M, Pertierra P, Garcia-Granda S, Garcia J, Rodriguez J, Fernandez-Diaz M Acta Crystallographica B52 (1996) 896-898 Neutron powder diffraction study of alpha-Ti(HPO4)2*(H2O) and alpha-Hf(HPO4)2*(H2O); H-atom positions _cod_database_code 1006111 _database_code_amcsd 0009897 CELL PARAMETERS: 8.6110 4.9933 16.1507 90.000 110.206 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 651.699 Density (g/cm3): 2.628 MAX. ABS. INTENSITY / VOLUME**2: 18.17352172 RIR: 2.252 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.68 72.96 7.5784 0 0 2 2 20.91 15.75 4.2478 1 1 0 4 21.04 9.71 4.2218 -2 0 2 2 22.00 1.96 4.0405 2 0 0 2 22.05 5.62 4.0307 -1 1 2 4 25.84 100.00 3.4480 1 1 2 4 26.10 49.99 3.4143 -2 0 4 2 28.42 3.58 3.1410 2 1 0 4 29.59 1.09 3.0185 0 1 4 4 31.16 1.77 2.8702 -3 0 2 2 34.46 5.35 2.6026 1 1 4 4 34.78 2.56 2.5796 -2 0 6 2 35.54 6.85 2.5261 0 0 6 2 35.97 12.16 2.4966 0 2 0 2 36.10 17.63 2.4884 -3 1 2 4 36.54 1.13 2.4592 -3 1 1 4 36.65 1.72 2.4519 -3 1 3 4 37.74 3.23 2.3835 2 0 4 2 37.99 4.56 2.3683 -1 1 6 4 39.59 1.08 2.2762 -3 0 6 2 40.25 4.18 2.2406 3 1 1 4 40.29 3.28 2.2383 0 2 3 4 40.56 3.49 2.2241 -3 1 5 4 42.00 2.13 2.1510 2 1 4 4 44.86 1.50 2.0203 4 0 0 2 44.96 1.25 2.0163 1 1 6 4 44.98 3.45 2.0153 -2 2 4 4 46.45 4.50 1.9550 2 2 2 4 46.89 2.40 1.9376 -4 0 6 2 47.03 1.22 1.9322 3 1 3 4 48.66 2.79 1.8711 2 0 6 2 48.96 5.18 1.8605 -1 1 8 4 49.03 1.39 1.8579 -2 1 8 4 53.12 6.62 1.7240 2 2 4 4 53.69 4.18 1.7072 -4 0 8 2 56.68 1.45 1.6241 1 1 8 4 58.76 5.72 1.5714 1 3 2 4 58.80 4.41 1.5705 4 2 0 4 59.19 4.86 1.5609 -5 1 6 4 61.15 1.58 1.5157 0 0 10 2 61.21 2.48 1.5142 3 1 6 4 61.43 1.90 1.5092 0 2 8 4 61.82 2.48 1.5007 -3 1 10 4 61.98 2.32 1.4973 2 2 6 4 62.64 1.21 1.4830 -4 0 10 2 64.74 6.21 1.4398 -3 3 2 4 64.99 2.34 1.4351 -6 0 4 2 65.82 1.42 1.4188 5 1 2 4 66.00 1.09 1.4154 -1 3 6 4 66.33 1.41 1.4092 -4 2 8 4 71.70 1.19 1.3163 4 1 6 4 72.75 1.49 1.2998 3 1 8 4 73.03 1.65 1.2956 0 2 10 4 73.45 1.75 1.2891 -3 1 12 4 74.02 1.27 1.2806 -1 3 8 4 74.41 1.01 1.2750 -4 2 10 4 76.28 1.40 1.2483 0 4 0 2 76.58 2.06 1.2442 -6 2 4 4 82.23 2.02 1.1724 -2 4 4 4 82.32 1.81 1.1713 -7 1 2 4 82.49 2.30 1.1694 -5 3 6 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.