K Mo O7 P2 Leclaire a, Borel M, Grandin A, Raveau B Journal of Solid State Chemistry 78 (1989) 220-226 Two Molybdenum Diphosphates with a Tunnel Structure Involving Mo(III): K Mo P2 O7 and K.17 Mo P2 O7 _cod_database_code 1001405 _database_code_amcsd 0013634 CELL PARAMETERS: 7.3758 10.3480 8.3510 90.000 106.880 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 609.926 Density (g/cm3): 3.364 MAX. ABS. INTENSITY / VOLUME**2: 18.20888320 RIR: 1.762 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.54 4.67 7.0580 1 0 0 2 14.00 4.17 6.3248 0 1 1 4 15.20 100.00 5.8309 1 1 0 4 16.53 52.41 5.3624 -1 1 1 4 17.14 3.78 5.1740 0 2 0 2 20.45 3.27 4.3431 0 2 1 4 20.90 6.99 4.2498 1 1 1 4 21.29 1.46 4.1729 1 2 0 4 22.25 82.25 3.9956 0 0 2 2 23.79 15.07 3.7409 -1 1 2 4 23.87 4.65 3.7274 0 1 2 4 25.24 15.52 3.5290 2 0 0 2 25.73 18.90 3.4630 1 2 1 4 28.14 11.87 3.1706 -1 2 2 4 28.18 7.91 3.1669 0 3 1 4 28.22 5.38 3.1624 0 2 2 4 28.69 1.40 3.1113 1 0 2 2 28.81 70.41 3.0990 1 3 0 4 29.78 19.03 3.0003 -2 1 2 4 29.99 48.20 2.9795 1 1 2 4 30.00 88.66 2.9785 -2 2 1 4 30.67 3.60 2.9154 2 2 0 4 33.42 4.37 2.6812 -2 2 2 4 33.46 22.86 2.6778 -1 1 3 4 34.28 3.98 2.6156 -1 3 2 4 34.35 1.76 2.6110 0 3 2 4 34.67 19.92 2.5870 0 4 0 2 35.21 3.16 2.5490 2 2 1 4 36.42 3.44 2.4667 2 3 0 4 37.60 19.91 2.3920 -3 1 1 4 37.61 1.94 2.3914 -1 4 1 4 37.99 2.00 2.3683 0 2 3 4 38.26 3.60 2.3527 3 0 0 2 38.82 1.97 2.3200 -2 3 2 4 38.99 10.17 2.3103 1 3 2 4 40.00 6.30 2.2541 -2 2 3 4 40.40 1.20 2.2327 2 3 1 4 40.46 10.24 2.2292 1 1 3 4 40.63 2.70 2.2206 -3 2 1 4 41.59 3.21 2.1716 0 4 2 4 41.80 10.97 2.1608 -1 3 3 4 42.20 2.56 2.1417 3 2 0 4 42.54 4.12 2.1249 2 2 2 4 43.34 5.16 2.0877 -1 0 4 2 43.37 12.55 2.0864 2 4 0 4 44.04 8.27 2.0561 3 1 1 4 44.21 5.94 2.0486 -3 1 3 4 44.26 2.08 2.0465 -1 1 4 4 45.26 1.18 2.0035 0 5 1 4 45.40 13.70 1.9978 0 0 4 2 45.46 2.49 1.9953 -2 4 2 4 45.60 1.58 1.9892 1 4 2 4 46.09 1.15 1.9695 -2 1 4 4 46.19 13.92 1.9653 -1 5 1 4 46.74 5.29 1.9436 3 3 0 4 46.82 6.71 1.9405 -3 3 2 4 46.85 1.77 1.9390 2 4 1 4 48.10 1.41 1.8915 1 5 1 4 48.68 2.92 1.8704 -2 2 4 4 49.09 3.68 1.8558 0 4 3 4 50.08 5.85 1.8213 -4 0 2 2 50.40 1.20 1.8107 -4 1 1 4 50.63 1.00 1.8029 -3 0 4 2 50.74 2.66 1.7993 -2 4 3 4 50.91 1.78 1.7938 -4 1 2 4 50.95 3.55 1.7924 3 3 1 4 51.00 2.13 1.7908 1 0 4 2 51.10 1.16 1.7875 -3 3 3 4 51.14 1.69 1.7860 -1 3 4 4 51.17 1.28 1.7852 2 5 0 4 51.22 1.12 1.7834 3 1 2 4 51.45 2.52 1.7761 -3 1 4 4 51.74 4.42 1.7668 2 2 3 4 51.81 4.20 1.7646 1 1 4 4 52.58 2.19 1.7406 3 4 0 4 52.65 1.41 1.7383 -3 4 2 4 52.79 2.51 1.7342 -2 3 4 4 52.83 13.10 1.7329 -4 2 1 4 52.88 6.17 1.7315 2 4 2 4 52.97 2.27 1.7288 0 3 4 4 53.10 2.89 1.7247 0 6 0 2 53.54 2.45 1.7117 1 4 3 4 54.09 3.28 1.6954 -4 1 3 4 55.24 1.33 1.6629 -1 6 1 4 55.40 4.32 1.6584 -1 5 3 4 55.88 5.30 1.6453 -1 1 5 4 56.61 2.21 1.6257 -3 4 3 4 57.49 4.53 1.6031 3 3 2 4 57.70 3.56 1.5978 -3 3 4 4 58.03 4.98 1.5894 1 3 4 4 58.19 1.38 1.5853 -2 4 4 4 58.23 1.95 1.5845 -1 6 2 4 58.27 4.55 1.5835 0 6 2 4 58.27 10.29 1.5833 -3 5 1 4 58.36 1.91 1.5812 0 4 4 4 58.78 1.11 1.5709 4 3 0 4 58.85 6.13 1.5691 -2 2 5 4 58.92 1.22 1.5675 -4 0 4 2 59.28 3.69 1.5588 -2 6 1 4 59.41 3.21 1.5556 2 0 4 2 59.58 3.35 1.5516 4 2 1 4 59.67 2.82 1.5495 2 6 0 4 60.23 2.84 1.5364 3 1 3 4 60.37 1.51 1.5333 1 5 3 4 60.50 1.66 1.5303 -3 1 5 4 60.64 6.01 1.5270 0 2 5 4 60.92 1.78 1.5207 2 4 3 4 61.35 2.04 1.5111 -2 6 2 4 61.90 1.22 1.4989 -4 4 1 4 62.35 1.56 1.4893 -4 4 2 4 62.49 1.10 1.4862 2 6 1 4 62.67 4.23 1.4824 -3 2 5 4 63.10 1.21 1.4733 3 5 1 4 63.14 1.13 1.4725 1 4 4 4 63.88 1.30 1.4573 -5 1 2 4 64.23 2.13 1.4501 4 1 2 4 64.39 7.47 1.4469 1 7 0 4 65.74 3.15 1.4204 -2 6 3 4 66.32 3.21 1.4095 -5 2 1 4 66.90 1.87 1.3986 5 1 0 4 67.26 1.92 1.3920 -4 1 5 4 67.57 3.79 1.3863 2 6 2 4 67.97 1.77 1.3792 -5 2 3 4 68.10 2.66 1.3769 4 4 1 4 68.86 1.62 1.3635 2 7 0 4 69.42 1.91 1.3539 -5 3 2 4 69.76 1.12 1.3481 4 3 2 4 70.16 2.38 1.3413 -5 1 4 4 70.21 1.00 1.3406 -4 4 4 4 70.53 1.13 1.3352 1 7 2 4 70.66 4.32 1.3332 2 4 4 4 71.79 1.60 1.3150 5 1 1 4 72.24 1.84 1.3078 -2 6 4 4 72.39 1.54 1.3055 0 6 4 4 72.87 5.96 1.2980 -1 5 5 4 73.49 1.70 1.2885 -2 5 5 4 74.96 4.43 1.2669 4 2 3 4 75.49 1.00 1.2594 -5 3 4 4 76.00 1.09 1.2522 -5 4 3 4 76.00 2.00 1.2521 -4 0 6 2 76.07 2.47 1.2512 3 3 4 4 76.37 2.32 1.2470 -3 3 6 4 76.70 2.11 1.2425 3 5 3 4 78.48 2.72 1.2187 -5 2 5 4 78.72 1.01 1.2155 5 1 2 4 79.47 1.44 1.2060 -6 1 3 4 80.09 1.17 1.1982 1 5 5 4 80.30 1.32 1.1957 -5 5 1 4 80.68 1.04 1.1910 -2 6 5 4 82.03 1.37 1.1747 -1 1 7 4 82.99 1.29 1.1636 0 8 3 4 83.10 1.28 1.1623 -4 5 5 4 85.10 2.19 1.1400 1 7 4 4 85.95 1.07 1.1309 -1 9 1 4 86.31 1.20 1.1271 -4 4 6 4 87.50 1.83 1.1148 0 2 7 4 89.00 1.10 1.0999 -3 8 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.