Tavorite Marx N, Croguennec L, Carlier D, Wattiaux A, Le Cras F, Suard E, Delmas C Dalton Transactions 39 (2010) 5108-5116 The structure of tavorite LiFePO4(OH) from diffraction and GGA + U studies and its preliminary electrochemical characterization Locality: synthetic _database_code_amcsd 0020848 CELL PARAMETERS: 5.3528 7.2896 5.1187 109.359 97.733 106.359 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 174.984 Density (g/cm3): 3.316 MAX. ABS. INTENSITY / VOLUME**2: 11.14630895 RIR: 1.094 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.74 4.01 6.4451 0 1 0 2 17.84 44.79 4.9706 1 0 0 2 18.35 11.23 4.8359 -1 1 0 2 18.62 32.87 4.7641 0 -1 1 2 18.99 51.30 4.6737 0 0 1 2 22.60 30.31 3.9351 -1 0 1 2 25.89 3.19 3.4417 1 -1 1 2 25.92 24.33 3.4372 -1 -1 1 2 26.18 22.23 3.4034 1 1 0 2 26.82 69.51 3.3244 0 -2 1 2 27.14 21.62 3.2851 -1 1 1 2 27.22 100.00 3.2757 -1 2 0 2 27.59 12.54 3.2334 0 1 1 2 27.68 2.09 3.2225 0 2 0 2 29.34 82.61 3.0439 1 0 1 2 33.82 7.01 2.6500 -2 1 0 2 35.08 22.39 2.5577 -1 -2 1 2 35.41 11.23 2.5351 0 -1 2 2 36.14 2.65 2.4853 2 0 0 2 36.42 37.82 2.4669 -2 0 1 2 36.94 18.34 2.4333 -1 2 1 2 37.77 9.66 2.3821 0 -2 2 2 38.14 7.12 2.3597 1 1 1 2 38.21 8.14 2.3554 -1 0 2 2 38.22 7.43 2.3548 1 2 0 2 38.39 3.71 2.3450 1 -3 1 2 39.46 5.57 2.2835 -1 3 0 2 39.66 6.29 2.2723 0 2 1 2 40.98 12.29 2.2023 -2 -1 1 2 41.23 6.20 2.1896 2 -2 1 2 42.04 18.21 2.1492 1 -2 2 2 42.09 2.05 2.1470 -1 -2 2 2 42.91 11.57 2.1079 -2 2 1 2 43.80 1.28 2.0667 -1 1 2 2 44.87 12.39 2.0202 0 -3 2 2 45.14 1.33 2.0087 -2 3 0 2 45.44 8.47 1.9959 2 0 1 2 46.14 8.42 1.9676 -2 0 2 2 46.94 15.17 1.9355 1 0 2 2 49.35 5.93 1.8466 -1 3 1 2 50.20 14.72 1.8173 1 -4 1 2 52.37 1.90 1.7470 -2 3 1 2 52.38 5.96 1.7467 0 -4 1 2 53.10 1.10 1.7248 -1 2 2 2 53.23 5.70 1.7209 2 -2 2 2 53.30 3.44 1.7188 -1 4 0 2 53.30 12.34 1.7186 -2 -2 2 2 53.80 2.86 1.7038 2 1 1 2 53.85 1.23 1.7025 -3 0 1 2 53.88 6.92 1.7017 2 2 0 2 54.99 4.28 1.6699 1 -4 2 2 55.26 2.13 1.6622 0 -4 2 2 55.28 14.71 1.6616 -3 2 1 2 55.46 14.46 1.6569 3 0 0 2 55.47 1.08 1.6566 1 1 2 2 55.98 7.39 1.6426 -2 2 2 2 56.14 9.91 1.6383 -1 -2 3 2 56.16 10.51 1.6378 -2 4 0 2 56.96 15.34 1.6167 0 2 2 2 57.14 1.14 1.6120 -3 3 0 2 57.17 3.71 1.6113 0 4 0 2 57.35 1.38 1.6065 -1 0 3 2 57.48 1.91 1.6032 3 -2 1 2 59.32 8.54 1.5579 0 0 3 2 59.59 10.53 1.5514 1 -2 3 2 59.74 2.20 1.5480 -3 0 2 2 60.87 5.76 1.5220 2 0 2 2 61.02 5.12 1.5184 -1 -4 1 2 61.22 8.53 1.5140 2 -4 2 2 61.70 1.06 1.5034 1 -1 3 2 61.81 1.12 1.5010 -2 0 3 2 61.99 6.45 1.4970 -1 -4 2 2 62.35 1.73 1.4892 -2 -3 2 2 63.49 2.29 1.4652 -1 4 1 2 64.00 7.06 1.4547 -2 -2 3 2 64.19 4.94 1.4508 3 0 1 2 64.45 4.18 1.4458 -2 4 1 2 65.02 5.98 1.4344 2 2 1 2 65.03 5.80 1.4343 -3 2 2 2 65.14 4.29 1.4320 0 -4 3 2 65.17 1.98 1.4315 -3 4 0 2 65.74 3.66 1.4204 3 -4 1 2 66.21 1.45 1.4115 1 -5 2 2 66.81 2.17 1.4003 1 2 2 2 67.02 2.54 1.3964 1 4 0 2 67.58 2.75 1.3862 -3 -2 1 2 69.00 1.66 1.3610 3 -2 2 2 69.10 3.63 1.3594 -3 -2 2 2 69.44 1.13 1.3535 -2 5 0 2 70.30 2.84 1.3390 2 -5 2 2 70.35 1.55 1.3383 2 -2 3 2 70.40 1.40 1.3374 -2 -3 3 2 71.14 2.16 1.3253 -4 1 1 2 71.16 8.47 1.3250 -4 2 0 2 71.99 2.02 1.3117 -3 0 3 2 72.64 1.51 1.3016 3 1 1 2 72.97 4.26 1.2965 -1 2 3 2 73.71 3.87 1.2853 2 -4 3 2 73.81 1.26 1.2839 -4 0 1 2 73.88 1.11 1.2827 -2 2 3 2 74.73 5.40 1.2702 -1 -2 4 2 74.79 3.88 1.2694 -2 -4 1 2 74.92 2.23 1.2675 0 -2 4 2 77.09 2.52 1.2371 0 -1 4 2 77.37 1.12 1.2334 -4 0 2 2 77.77 1.35 1.2280 0 2 3 2 78.62 1.07 1.2169 -3 -3 2 2 78.65 1.64 1.2164 2 3 1 2 79.18 1.98 1.2096 1 4 1 2 79.27 3.07 1.2086 -1 4 2 2 79.39 1.49 1.2070 -1 5 1 2 81.26 4.02 1.1839 4 -4 1 2 81.78 2.43 1.1777 -2 0 4 2 81.80 1.29 1.1774 2 4 0 2 85.83 1.27 1.1322 4 0 1 2 86.20 1.00 1.1283 3 -4 3 2 88.01 1.30 1.1096 1 2 3 2 89.53 1.22 1.0948 4 -4 2 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.