Na O7 P2 Ti Leclaire A, Benmoussa A, Borel M, Grandin A, Raveau B Journal of Solid State Chemistry 77 (1988) 299-305 Two forms of sodium titanium(III) diphosphate: alpha-Na Ti P2 O7 closely related to beta-Cristobalite and beta-Na Ti P2 O7 isotypic with Na Fe P2 O7 _cod_database_code 1001385 _database_code_amcsd 0013629 CELL PARAMETERS: 7.3940 7.9360 9.7260 90.000 111.850 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 529.711 Density (g/cm3): 3.069 MAX. ABS. INTENSITY / VOLUME**2: 12.38701171 RIR: 1.314 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.90 6.37 6.8628 1 0 0 2 14.86 1.97 5.9603 0 1 1 4 17.08 6.93 5.1910 1 1 0 4 17.14 46.38 5.1732 -1 1 1 4 19.09 11.82 4.6481 -1 0 2 2 22.02 11.83 4.0358 1 1 1 4 22.16 2.12 4.0108 -1 1 2 4 22.66 36.21 3.9235 0 1 2 4 25.94 9.59 3.4351 1 2 0 4 25.97 23.27 3.4314 2 0 0 2 25.98 4.55 3.4300 -1 2 1 4 26.13 3.79 3.4109 -2 0 2 2 27.39 2.45 3.2556 1 0 2 2 28.34 49.85 3.1496 2 1 0 4 28.48 35.32 3.1337 -2 1 2 4 29.49 1.15 3.0285 1 2 1 4 29.60 3.72 3.0179 -1 2 2 4 29.66 8.05 3.0120 1 1 2 4 29.84 8.82 2.9947 -1 1 3 4 29.98 100.00 2.9801 0 2 2 4 31.80 2.86 2.8136 0 1 3 4 34.56 4.77 2.5955 2 2 0 4 34.68 14.94 2.5866 -2 2 2 4 35.36 7.85 2.5386 0 3 1 4 37.01 2.82 2.4289 -1 0 4 2 38.41 10.06 2.3436 2 0 2 2 38.62 4.35 2.3315 -3 1 2 4 38.75 12.75 2.3240 -2 0 4 2 38.77 1.01 2.3225 -1 1 4 4 38.92 1.17 2.3138 -2 2 3 4 39.18 1.37 2.2991 -1 3 2 4 39.39 3.19 2.2876 3 0 0 2 39.48 7.91 2.2823 0 3 2 4 40.44 1.45 2.2304 -2 1 4 4 41.60 9.20 2.1708 0 1 4 4 42.00 1.21 2.1513 -2 3 1 4 43.18 2.69 2.0950 2 3 0 4 43.28 2.16 2.0903 -2 3 2 4 43.48 5.43 2.0814 -3 2 1 4 44.24 2.61 2.0475 -1 3 3 4 44.92 6.27 2.0179 2 2 2 4 45.22 7.50 2.0054 -2 2 4 4 45.73 4.68 1.9840 0 4 0 2 45.85 7.14 1.9792 3 1 1 4 46.00 3.69 1.9729 -3 2 3 4 46.21 2.59 1.9645 -3 1 4 4 46.28 3.18 1.9617 0 2 4 4 46.68 1.16 1.9458 2 3 1 4 46.82 1.17 1.9403 1 0 4 2 48.29 1.07 1.8848 1 1 4 4 48.83 2.58 1.8652 -2 1 5 4 49.30 11.39 1.8484 -4 0 2 2 49.91 5.00 1.8271 1 4 1 4 50.21 1.93 1.8169 3 2 1 4 50.23 1.22 1.8163 0 4 2 4 50.89 1.77 1.7943 1 3 3 4 50.92 1.01 1.7932 -3 3 2 4 52.14 1.16 1.7542 2 3 2 4 52.41 2.25 1.7459 -2 3 4 4 52.87 1.87 1.7316 -3 1 5 4 52.91 4.29 1.7303 3 3 0 4 53.11 1.96 1.7244 -3 3 3 4 53.34 4.92 1.7176 2 4 0 4 53.36 2.62 1.7169 0 3 4 4 53.43 7.42 1.7150 -2 4 2 4 53.75 1.72 1.7054 -4 0 4 2 55.48 1.13 1.6564 0 4 3 4 56.40 4.23 1.6313 3 2 2 4 57.25 1.42 1.6092 -3 3 4 4 58.62 5.62 1.5748 4 2 0 4 58.95 4.20 1.5669 -4 2 4 4 59.23 3.24 1.5601 -1 3 5 4 59.83 1.32 1.5459 -1 5 1 4 60.38 2.26 1.5330 3 1 3 4 61.21 2.16 1.5142 2 4 2 4 61.45 3.62 1.5089 -2 4 4 4 61.58 7.85 1.5060 2 2 4 4 61.65 1.62 1.5045 0 0 6 2 61.91 1.52 1.4988 3 4 0 4 61.98 8.15 1.4973 -2 2 6 4 62.31 5.52 1.4901 0 4 4 4 62.87 3.06 1.4782 0 1 6 4 64.33 1.11 1.4481 -5 1 3 4 64.79 2.18 1.4390 -2 5 2 4 65.08 3.38 1.4332 -5 0 4 2 67.79 3.70 1.3824 -5 2 2 4 68.36 3.43 1.3723 1 3 5 4 69.50 1.12 1.3525 5 1 0 4 69.50 2.85 1.3524 -4 4 2 4 70.22 1.71 1.3403 -4 2 6 4 70.77 3.52 1.3312 -3 5 1 4 70.80 1.98 1.3308 1 5 3 4 70.83 3.17 1.3303 -3 5 2 4 72.24 3.26 1.3078 0 3 6 4 72.84 1.45 1.2985 -1 6 1 4 74.80 1.73 1.2693 0 6 2 4 75.31 1.84 1.2619 -5 1 6 4 77.31 2.61 1.2342 2 6 0 4 77.38 1.71 1.2332 -2 6 2 4 78.31 1.26 1.2209 2 0 6 2 78.41 1.79 1.2196 -6 0 4 2 81.88 2.53 1.1765 1 1 7 4 83.50 1.05 1.1578 5 3 1 4 83.58 1.09 1.1569 -4 4 6 4 86.15 1.01 1.1288 5 4 0 4 86.21 1.20 1.1282 3 4 4 4 88.79 1.26 1.1019 1 7 1 4 89.71 2.07 1.0930 -6 2 6 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.