H Mn O7 P2 Durif A, Averbuch-Pouchot M Acta Crystallographica B38 (1982) 2883-2885 Structure du Diphosphate Acide de Manganese(III): Mn H P2 O7 _cod_database_code 1007088 _database_code_amcsd 0009783 CELL PARAMETERS: 7.9510 12.6450 4.9220 90.000 100.920 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 485.899 Density (g/cm3): 3.142 MAX. ABS. INTENSITY / VOLUME**2: 12.79840291 RIR: 1.326 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.33 100.00 6.6429 1 1 0 4 14.01 3.57 6.3225 0 2 0 2 18.05 8.76 4.9134 1 2 0 4 19.67 2.74 4.5144 0 1 1 4 19.69 4.53 4.5093 -1 0 1 2 22.78 4.29 3.9035 2 0 0 2 23.17 1.68 3.8396 0 2 1 4 23.41 32.56 3.7997 1 0 1 2 23.99 20.60 3.7090 1 3 0 4 24.24 27.37 3.6712 -1 2 1 4 24.46 63.83 3.6390 1 1 1 4 26.84 2.84 3.3215 2 2 0 4 27.38 16.55 3.2568 1 2 1 4 27.43 58.03 3.2511 -2 1 1 4 28.09 1.19 3.1766 0 3 1 4 28.23 9.45 3.1613 0 4 0 2 29.00 28.41 3.0792 -1 3 1 4 30.09 48.77 2.9699 -2 2 1 4 30.51 42.23 2.9301 1 4 0 4 32.88 19.54 2.7239 2 1 1 4 34.10 11.21 2.6293 -2 3 1 4 34.65 17.96 2.5885 -1 4 1 4 35.17 3.69 2.5520 2 2 1 4 35.21 6.04 2.5489 3 1 0 4 36.58 4.45 2.4567 2 4 0 4 37.21 1.08 2.4164 0 0 2 2 37.37 1.15 2.4065 3 2 0 4 38.71 1.02 2.3261 2 3 1 4 39.55 24.31 2.2786 -1 2 2 4 39.94 9.81 2.2572 0 2 2 4 40.25 8.18 2.2407 0 5 1 4 40.75 1.86 2.2143 3 3 0 4 40.91 2.14 2.2058 -1 5 1 4 41.79 1.43 2.1617 1 1 2 4 42.06 1.10 2.1485 -3 3 1 4 42.46 5.57 2.1291 3 0 1 2 42.57 1.11 2.1237 -2 2 2 4 42.60 2.69 2.1225 2 5 0 4 42.96 2.73 2.1053 1 5 1 4 43.08 5.00 2.0995 3 1 1 4 43.26 3.51 2.0916 2 4 1 4 43.67 1.82 2.0727 1 2 2 4 44.84 6.51 2.0215 -2 5 1 4 45.13 3.39 2.0092 3 4 0 4 45.63 3.49 1.9881 -2 3 2 4 46.53 4.30 1.9518 4 0 0 2 46.67 3.71 1.9461 1 3 2 4 46.76 1.69 1.9429 -3 1 2 4 47.04 6.33 1.9318 0 6 1 4 47.36 1.34 1.9195 -4 1 1 4 47.86 2.52 1.9004 3 3 1 4 48.45 2.82 1.8788 2 1 2 4 48.49 5.68 1.8775 -3 2 2 4 49.13 1.52 1.8545 2 6 0 4 50.14 1.74 1.8195 2 2 2 4 50.31 3.25 1.8136 3 5 0 4 50.64 1.06 1.8024 1 4 2 4 51.14 1.70 1.7860 -2 6 1 4 51.27 2.01 1.7819 -3 3 2 4 51.42 9.03 1.7769 -3 5 1 4 51.61 1.64 1.7711 4 3 0 4 51.77 5.40 1.7659 3 4 1 4 51.96 3.84 1.7599 1 7 0 4 52.37 1.40 1.7471 0 5 2 4 52.86 2.27 1.7320 2 3 2 4 54.21 4.10 1.6921 0 7 1 4 54.53 5.35 1.6829 -2 5 2 4 54.74 2.96 1.6769 -1 7 1 4 55.08 6.38 1.6674 -4 1 2 4 55.32 5.19 1.6607 4 4 0 4 55.97 2.02 1.6429 4 2 1 4 57.19 1.55 1.6108 3 1 2 4 58.12 1.02 1.5872 -2 1 3 4 58.70 5.08 1.5729 3 2 2 4 59.14 4.37 1.5623 -4 3 2 4 59.67 1.49 1.5496 5 1 0 4 60.07 1.26 1.5403 -4 5 1 4 60.96 6.13 1.5199 1 6 2 4 61.00 1.90 1.5190 2 5 2 4 61.16 1.79 1.5154 3 3 2 4 61.36 3.77 1.5108 1 1 3 4 61.64 3.18 1.5048 0 3 3 4 61.71 2.37 1.5031 -3 0 3 2 61.75 1.95 1.5023 0 8 1 4 62.24 2.09 1.4916 -1 8 1 4 62.98 2.12 1.4759 -5 3 1 4 63.50 5.95 1.4651 2 8 0 4 63.54 1.94 1.4642 5 3 0 4 63.63 1.07 1.4623 -3 2 3 4 63.77 1.40 1.4594 1 8 1 4 64.85 3.17 1.4377 -3 6 2 4 65.14 1.70 1.4320 4 6 0 4 65.22 1.23 1.4306 -2 8 1 4 65.34 3.73 1.4281 -4 6 1 4 65.38 1.08 1.4274 -2 4 3 4 65.98 3.98 1.4158 -3 3 3 4 66.20 1.13 1.4116 4 5 1 4 66.28 2.80 1.4102 -5 4 1 4 66.30 3.05 1.4098 -2 7 2 4 66.30 1.01 1.4097 5 0 1 2 66.83 2.13 1.4000 5 4 0 4 67.36 3.42 1.3901 2 1 3 4 67.57 2.95 1.3863 4 1 2 4 67.77 1.64 1.3828 1 9 0 4 68.19 1.16 1.3752 2 8 1 4 68.42 1.61 1.3711 1 4 3 4 68.74 3.27 1.3656 2 2 3 4 68.82 2.40 1.3642 -5 3 2 4 69.21 2.48 1.3575 -3 4 3 4 69.70 1.43 1.3491 0 9 1 4 70.16 1.16 1.3414 -1 9 1 4 70.94 3.44 1.3286 5 5 0 4 71.22 1.01 1.3241 4 3 2 4 71.23 1.81 1.3238 4 6 1 4 72.16 5.50 1.3091 2 7 2 4 72.16 2.80 1.3090 -4 3 3 4 73.21 4.10 1.2929 -6 2 1 4 73.64 1.00 1.2864 3 6 2 4 74.81 1.01 1.2691 3 8 1 4 76.28 1.25 1.2482 1 10 0 4 77.35 1.41 1.2337 1 6 3 4 77.52 1.14 1.2313 5 5 1 4 78.80 1.65 1.2146 0 9 2 4 78.81 1.13 1.2144 -1 7 3 4 79.29 1.66 1.2082 0 0 4 2 79.69 2.28 1.2032 6 4 0 4 81.54 1.30 1.1805 -1 3 4 4 82.20 1.39 1.1727 3 9 1 4 83.03 1.31 1.1631 4 6 2 4 83.94 1.42 1.1528 -4 6 3 4 84.04 1.26 1.1517 2 10 1 4 85.16 1.74 1.1393 -2 4 4 4 86.01 1.37 1.1303 -7 1 1 4 86.17 1.44 1.1286 0 4 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.