K0.58 O7 P2 Ti Leclaire A, Chardon, Borel M, Raveau B Journal of Solid State Chemistry 109 (1994) 83-87 A mixed valent titanium diphosphate with an intersecting tunnel structure K0.58TiP2O7 _cod_database_code 1001621 _database_code_amcsd 0013797 CELL PARAMETERS: 17.8520 6.2980 12.1810 90.000 119.730 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 1189.263 Density (g/cm3): 2.713 MAX. ABS. INTENSITY / VOLUME**2: 8.671309596 RIR: 1.041 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.42 12.16 7.7511 2 0 0 2 14.88 80.68 5.9548 -2 0 2 2 15.18 100.00 5.8349 1 1 0 4 15.92 32.43 5.5675 -1 1 1 4 16.76 12.37 5.2888 0 0 2 2 18.69 1.42 4.7480 1 1 1 4 20.45 10.11 4.3427 -1 1 2 4 20.53 41.98 4.3253 -3 1 1 4 20.63 3.59 4.3057 -4 0 2 2 22.95 95.99 3.8755 4 0 0 2 24.64 2.65 3.6134 2 0 2 2 24.74 15.22 3.5986 1 1 2 4 26.54 31.35 3.3584 -3 1 3 4 26.71 18.17 3.3381 3 1 1 4 28.34 1.44 3.1490 0 2 0 2 29.34 8.52 3.0438 -5 1 1 4 29.60 76.41 3.0181 0 2 1 4 29.80 39.91 2.9980 -2 0 4 2 30.01 3.66 2.9774 -4 0 4 2 30.03 40.30 2.9752 -6 0 2 2 30.22 1.19 2.9575 -2 2 1 4 30.64 2.16 2.9174 2 2 0 4 32.02 7.95 2.7956 1 1 3 4 32.15 4.22 2.7837 -2 2 2 4 32.18 7.16 2.7816 5 1 0 4 32.67 29.81 2.7412 -3 1 4 4 33.35 1.13 2.6868 2 2 1 4 33.90 7.44 2.6444 0 0 4 2 34.53 2.71 2.5978 -1 1 4 4 34.83 11.51 2.5758 4 0 2 2 34.90 10.73 2.5711 -5 1 4 4 35.00 2.21 2.5635 -4 2 1 4 35.31 1.87 2.5418 -4 2 2 4 36.11 13.52 2.4873 -2 2 3 4 36.89 1.28 2.4367 5 1 1 4 37.66 4.15 2.3886 -4 2 3 4 38.32 2.61 2.3487 0 2 3 4 39.85 1.29 2.2624 -3 1 5 4 40.08 8.55 2.2500 3 1 3 4 40.39 8.12 2.2330 4 2 1 4 40.62 1.96 2.2209 -7 1 4 4 41.17 5.30 2.1925 2 0 4 2 41.75 1.39 2.1635 -4 2 4 4 42.73 3.42 2.1162 -6 2 1 4 43.31 3.46 2.0892 7 1 0 4 43.79 10.60 2.0675 -1 3 1 4 44.75 1.21 2.0251 0 2 4 4 44.97 3.71 2.0160 1 3 1 4 45.71 10.58 1.9849 -6 0 6 2 45.79 4.47 1.9814 -1 3 2 4 46.12 1.69 1.9682 6 0 2 2 46.84 1.39 1.9396 -2 0 6 2 46.89 15.14 1.9378 8 0 0 2 47.19 1.95 1.9262 -5 1 6 4 47.22 1.28 1.9249 -4 2 5 4 47.74 6.43 1.9050 -3 1 6 4 48.09 4.05 1.8919 -9 1 3 4 48.19 1.72 1.8883 -2 2 5 4 48.43 1.46 1.8796 1 1 5 4 49.09 9.25 1.8558 -3 3 3 4 49.19 1.96 1.8524 3 3 1 4 49.67 1.32 1.8355 -7 1 6 4 49.75 1.08 1.8327 -8 0 6 2 50.52 1.40 1.8067 4 0 4 2 51.15 2.78 1.7859 -9 1 5 4 51.26 1.18 1.7822 -1 1 6 4 52.08 1.04 1.7560 0 2 5 4 52.65 6.59 1.7384 -10 0 2 2 52.65 1.16 1.7383 5 3 0 4 52.98 2.23 1.7283 -3 3 4 4 53.12 2.16 1.7242 3 3 2 4 54.16 1.20 1.6936 -8 2 5 4 54.73 5.87 1.6772 -5 1 7 4 54.89 2.88 1.6727 -9 1 6 4 55.94 3.55 1.6437 5 3 1 4 56.22 2.79 1.6361 -3 1 7 4 56.34 2.29 1.6331 -10 0 6 2 57.09 3.79 1.6133 -7 3 3 4 57.35 2.56 1.6066 1 1 6 4 58.13 9.37 1.5870 -3 3 5 4 58.15 1.43 1.5863 -7 3 1 4 58.27 4.85 1.5834 8 0 2 2 58.48 4.11 1.5783 2 2 5 4 58.63 8.35 1.5745 0 4 0 2 58.72 2.39 1.5724 -7 3 4 4 58.81 1.65 1.5702 -11 1 4 4 59.12 2.21 1.5626 -11 1 3 4 59.24 3.21 1.5599 2 0 6 2 59.34 1.86 1.5573 0 4 1 4 60.30 7.95 1.5349 8 2 1 4 60.39 2.94 1.5328 9 1 1 4 60.84 3.47 1.5225 -11 1 2 4 60.86 1.13 1.5222 -2 4 2 4 61.09 2.82 1.5170 -6 2 7 4 61.35 3.03 1.5110 6 0 4 2 61.71 1.36 1.5032 -7 3 5 4 62.38 2.56 1.4886 -11 1 6 4 63.00 2.20 1.4755 -5 1 8 4 63.23 2.95 1.4706 -7 1 8 4 63.46 1.51 1.4658 -10 2 1 4 63.81 3.25 1.4587 4 4 0 4 64.72 1.49 1.4403 7 3 1 4 64.92 2.23 1.4363 1 3 5 4 65.28 1.90 1.4293 -3 1 8 4 65.38 1.05 1.4274 -9 3 2 4 65.57 1.88 1.4238 3 1 6 4 66.30 1.21 1.4099 4 4 1 4 66.94 1.15 1.3978 4 2 5 4 67.15 3.43 1.3940 -2 4 4 4 67.28 2.10 1.3916 -6 4 2 4 68.39 1.38 1.3717 -10 2 7 4 68.93 1.53 1.3624 0 2 7 4 70.04 1.36 1.3434 4 4 2 4 70.26 4.79 1.3397 -5 3 7 4 70.37 1.68 1.3378 -13 1 5 4 71.36 1.97 1.3218 -7 3 7 4 71.57 1.25 1.3184 -3 3 7 4 71.79 4.46 1.3149 -13 1 6 4 74.13 3.98 1.2791 -11 3 3 4 74.14 3.16 1.2789 2 4 4 4 74.46 1.12 1.2741 -13 1 7 4 74.81 2.73 1.2691 -9 3 7 4 74.83 1.74 1.2688 -11 3 5 4 75.27 2.30 1.2626 9 3 1 4 75.40 1.91 1.2606 -14 0 6 2 75.63 1.91 1.2574 5 1 6 4 75.67 1.06 1.2568 -11 3 2 4 77.24 4.21 1.2351 6 2 5 4 77.84 1.26 1.2271 -7 3 8 4 78.23 1.04 1.2220 8 4 0 4 78.45 1.48 1.2191 -11 3 1 4 78.50 1.23 1.2184 -4 2 9 4 79.72 1.51 1.2028 -3 3 8 4 80.72 2.12 1.1905 5 3 5 4 82.69 1.17 1.1670 -10 4 2 4 82.96 1.44 1.1639 -3 5 4 4 87.34 1.85 1.1165 8 4 2 4 88.17 1.03 1.1081 4 4 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.