Mo Na0.3 O7 P2 Leclaire A, Borel M, Grandin A, Raveau B Zeitschrift fur Kristallographie 184 (1988) 247-255 NaxMoP2O7, a mixed valence molybdenum diphosphate with a tunnel structure _cod_database_code 1001439 _database_code_amcsd 0010982 CELL PARAMETERS: 4.8813 7.0110 8.2563 91.400 92.466 106.551 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 270.397 Density (g/cm3): 3.399 MAX. ABS. INTENSITY / VOLUME**2: 23.01608753 RIR: 2.205 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.73 4.77 8.2426 0 0 1 2 13.18 9.42 6.7156 0 1 0 2 16.71 100.00 5.3068 0 -1 1 2 17.35 58.22 5.1113 0 1 1 2 18.99 2.08 4.6727 1 0 0 2 19.80 7.31 4.4843 -1 1 0 2 21.36 15.02 4.1591 -1 0 1 2 21.56 2.56 4.1213 0 0 2 2 22.34 6.90 3.9802 -1 1 1 2 22.35 42.71 3.9769 1 0 1 2 22.81 21.42 3.8993 1 -1 1 2 24.91 11.95 3.5742 0 -1 2 2 26.17 29.07 3.4056 1 1 0 2 26.55 5.31 3.3578 0 2 0 2 27.76 10.47 3.2134 -1 -1 1 2 27.93 2.46 3.1943 -1 2 0 2 28.11 2.14 3.1741 -1 0 2 2 28.31 4.47 3.1521 0 -2 1 2 28.94 15.39 3.0856 1 1 1 2 29.07 56.74 3.0721 -1 1 2 2 29.10 7.97 3.0689 0 2 1 2 29.80 31.74 2.9981 1 -1 2 2 29.99 21.79 2.9793 1 -2 1 2 30.01 13.69 2.9777 -1 2 1 2 32.59 2.14 2.7475 0 0 3 2 33.15 8.23 2.7026 -1 -1 2 2 33.78 8.67 2.6534 0 -2 2 2 34.80 7.50 2.5778 0 -1 3 2 35.11 15.07 2.5557 0 2 2 2 35.13 3.15 2.5542 1 1 2 2 35.78 3.26 2.5095 0 1 3 2 37.08 4.54 2.4243 -1 0 3 2 37.18 1.33 2.4184 1 2 0 2 37.99 2.60 2.3687 -1 1 3 2 38.13 5.26 2.3599 -2 1 1 2 38.21 13.14 2.3555 -1 -2 1 2 38.53 9.07 2.3363 2 0 0 2 38.88 4.91 2.3162 1 0 3 2 39.02 1.44 2.3086 2 -1 1 2 39.34 9.85 2.2904 -1 3 0 2 39.40 2.24 2.2871 1 2 1 2 41.04 1.73 2.1991 -1 3 1 2 41.48 2.54 2.1771 -2 2 1 2 42.02 1.76 2.1503 2 -2 1 2 42.24 4.86 2.1396 0 3 1 2 42.29 1.89 2.1373 -1 -2 2 2 43.43 5.40 2.0838 1 -2 3 2 43.46 7.31 2.0822 -1 2 3 2 43.49 3.09 2.0808 1 1 3 2 43.52 6.10 2.0795 -2 0 2 2 43.94 3.91 2.0606 0 0 4 2 45.02 3.89 2.0137 1 -3 2 2 45.32 5.83 2.0009 -2 -1 1 2 45.57 4.17 1.9905 -1 3 2 2 45.58 2.73 1.9901 -2 2 2 2 45.62 2.19 1.9885 2 0 2 2 46.58 7.70 1.9496 2 -2 2 2 46.61 7.82 1.9485 2 1 1 2 47.27 3.56 1.9228 -1 0 4 2 48.14 1.33 1.8901 -1 1 4 2 48.76 5.87 1.8675 -2 3 1 2 48.99 2.24 1.8594 -2 1 3 2 48.99 1.52 1.8593 2 -3 1 2 49.11 3.86 1.8553 1 -1 4 2 49.96 7.94 1.8254 1 3 0 2 50.43 3.03 1.8097 -1 -1 4 2 51.11 4.96 1.7871 0 -2 4 2 51.14 4.05 1.7861 2 -1 3 2 51.67 6.73 1.7689 0 -3 3 2 51.70 4.29 1.7681 1 2 3 2 53.02 3.41 1.7270 0 2 4 2 53.26 1.75 1.7198 1 1 4 2 53.38 3.26 1.7163 1 -4 1 2 53.81 1.81 1.7038 0 3 3 2 53.84 1.76 1.7028 2 2 0 2 53.86 1.03 1.7022 -1 4 1 2 53.87 3.38 1.7019 -1 -3 2 2 54.60 4.39 1.6809 -2 -1 3 2 54.67 3.20 1.6789 0 4 0 2 56.81 1.09 1.6205 1 -4 2 2 57.01 1.66 1.6154 0 -1 5 2 57.35 2.05 1.6067 -2 -2 2 2 57.72 2.58 1.5972 -2 4 0 2 58.12 1.72 1.5870 -2 0 4 2 58.13 3.62 1.5870 0 1 5 2 58.38 2.08 1.5807 -1 0 5 2 58.52 2.28 1.5773 -2 3 3 2 58.57 2.35 1.5761 0 -4 2 2 59.12 3.95 1.5626 2 -3 3 2 59.28 1.36 1.5589 3 -2 1 2 59.85 1.98 1.5453 -3 0 1 2 59.96 4.60 1.5428 2 2 2 2 59.98 2.41 1.5424 1 -3 4 2 60.25 5.63 1.5361 -2 2 4 2 60.32 2.25 1.5344 0 4 2 2 60.34 3.03 1.5339 -3 1 2 2 60.88 3.36 1.5216 -1 3 4 2 61.13 2.39 1.5161 3 0 1 2 61.54 3.51 1.5069 2 0 4 2 61.90 1.45 1.4990 2 -2 4 2 62.09 3.68 1.4948 -3 3 0 2 62.33 3.14 1.4896 2 -4 2 2 62.37 3.31 1.4889 -2 4 2 2 62.40 1.23 1.4881 1 -4 3 2 62.44 5.49 1.4874 3 -1 2 2 63.48 1.84 1.4654 1 -2 5 2 63.70 1.29 1.4609 -1 4 3 2 63.85 1.40 1.4579 0 2 5 2 64.08 1.20 1.4532 1 4 0 2 64.57 1.23 1.4433 -1 -4 1 2 65.25 1.44 1.4299 3 1 0 2 65.81 1.69 1.4192 1 4 1 2 66.65 3.09 1.4033 -3 2 3 2 66.93 4.26 1.3981 -1 -2 5 2 67.29 2.14 1.3914 2 3 1 2 67.30 2.07 1.3912 -2 1 5 2 67.57 1.44 1.3864 -3 0 3 2 68.21 1.31 1.3749 -3 -1 2 2 68.27 1.12 1.3738 0 0 6 2 69.01 1.52 1.3609 3 -2 3 2 69.57 2.13 1.3513 -2 -2 4 2 70.25 1.65 1.3399 2 -1 5 2 70.62 3.10 1.3338 0 -5 1 2 70.69 2.86 1.3327 1 3 4 2 70.85 2.07 1.3300 3 -4 1 2 70.92 1.19 1.3288 1 2 5 2 71.05 1.15 1.3267 -3 3 3 2 71.06 1.46 1.3265 2 -5 1 2 71.28 1.15 1.3230 -2 5 1 2 71.31 1.54 1.3226 -1 1 6 2 71.63 1.39 1.3174 -1 5 2 2 72.00 1.34 1.3116 -1 -4 3 2 72.50 1.60 1.3038 0 3 5 2 72.73 1.76 1.3002 -1 -1 6 2 73.47 1.25 1.2889 0 -2 6 2 74.34 1.04 1.2760 -3 -2 1 2 76.20 2.83 1.2494 1 1 6 2 78.64 2.17 1.2167 -4 2 0 2 79.73 1.50 1.2027 1 5 0 2 79.84 1.17 1.2014 -3 5 0 2 81.77 1.26 1.1778 -2 -4 2 2 81.81 1.24 1.1773 -4 3 1 2 82.23 1.44 1.1724 1 -5 4 2 82.73 1.28 1.1666 4 -3 1 2 84.10 1.71 1.1510 -1 6 1 2 85.52 1.49 1.1355 3 2 3 2 86.23 1.56 1.1280 1 0 7 2 88.03 1.14 1.1095 -2 -3 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.