Cs6 H2 Mo7 O38 P7 Guesdon A, Borel M, Leclaire A, Grandin A, Raveau B Journal of Solid State Chemistry 111 (1994) 315-321 A mixed-valent molybdenum monophosphate with a "butterfly"-shaped tunnel structure Cs6Mo7O9(PO4)7*H2O _cod_database_code 1001603 _database_code_amcsd 0013814 CELL PARAMETERS: 10.0840 21.2970 17.4910 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 3756.349 Density (g/cm3): 4.055 MAX. ABS. INTENSITY / VOLUME**2: 18.41497985 RIR: 1.479 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 6.54 19.91 13.5167 0 1 1 4 8.30 23.89 10.6485 0 2 0 2 10.11 16.28 8.7455 0 0 2 2 10.13 2.78 8.7361 1 0 1 4 10.95 3.19 8.0825 1 1 1 8 13.10 1.28 6.7583 0 2 2 4 13.11 69.65 6.7540 1 2 1 8 13.40 4.69 6.6069 1 0 2 4 13.46 5.62 6.5779 0 3 1 4 14.03 1.64 6.3102 1 1 2 8 16.65 33.01 5.3243 0 4 0 2 17.57 8.18 5.0474 1 0 3 4 18.06 1.09 4.9114 1 1 3 8 18.08 1.13 4.9064 2 1 0 4 18.31 1.86 4.8447 2 0 1 4 18.34 18.93 4.8364 1 3 2 8 18.78 1.18 4.7240 2 1 1 8 19.46 23.23 4.5610 1 2 3 8 19.48 21.23 4.5570 2 2 0 4 20.14 27.32 4.4098 2 2 1 8 20.33 22.69 4.3681 2 0 2 4 20.76 15.93 4.2790 2 1 2 8 21.43 26.41 4.1457 1 4 2 8 21.47 51.64 4.1385 0 5 1 4 21.62 17.10 4.1107 2 3 0 4 22.16 5.10 4.0118 1 0 4 4 22.21 12.32 4.0017 2 3 1 8 22.55 9.15 3.9425 1 1 4 8 23.23 22.68 3.8286 1 5 1 8 23.70 1.44 3.7542 1 2 4 8 24.30 20.69 3.6630 1 4 3 8 24.85 68.03 3.5833 2 4 1 8 25.09 3.60 3.5495 0 6 0 2 25.81 2.55 3.4519 0 1 5 4 25.91 15.84 3.4393 0 5 3 4 26.38 2.75 3.3792 0 4 4 4 26.39 5.99 3.3770 2 4 2 8 26.53 13.62 3.3596 2 3 3 8 26.98 26.89 3.3050 1 0 5 4 26.99 6.58 3.3035 2 0 4 4 27.01 29.55 3.3009 3 0 1 4 27.12 5.48 3.2884 1 6 1 8 27.31 29.01 3.2659 1 1 5 8 27.32 7.23 3.2644 2 1 4 8 27.34 1.89 3.2620 3 1 1 8 27.41 7.30 3.2538 2 5 0 4 27.84 100.00 3.2041 1 4 4 8 28.27 80.06 3.1564 1 2 5 8 28.29 27.48 3.1551 2 2 4 8 28.45 39.89 3.1376 3 0 2 4 28.55 2.99 3.1268 1 6 2 8 28.76 2.30 3.1041 3 1 2 8 28.80 5.35 3.1004 2 4 3 8 29.81 4.87 2.9974 0 7 1 4 29.83 14.19 2.9951 2 3 4 8 29.85 17.02 2.9932 3 3 1 8 30.61 7.69 2.9204 1 5 4 8 30.67 11.63 2.9152 0 0 6 2 30.70 5.78 2.9120 3 0 3 4 30.80 10.86 2.9034 1 6 3 8 30.81 16.08 2.9024 2 6 0 4 31.00 1.13 2.8852 3 1 3 8 31.24 4.50 2.8633 2 6 1 8 31.41 2.66 2.8483 2 1 5 8 31.49 2.69 2.8413 2 5 3 8 31.86 13.61 2.8089 3 2 3 8 31.90 1.18 2.8055 3 4 1 8 31.96 1.02 2.8005 1 0 6 4 32.24 6.32 2.7766 1 1 6 8 32.26 2.26 2.7749 2 2 5 8 32.40 5.11 2.7635 1 7 2 8 32.49 1.24 2.7559 0 6 4 4 32.50 8.06 2.7547 2 6 2 8 33.07 4.06 2.7084 1 2 6 8 33.22 1.35 2.6973 0 7 3 4 33.25 8.37 2.6942 3 3 3 8 33.63 1.90 2.6650 3 0 4 4 33.67 5.72 2.6621 0 8 0 2 33.90 3.29 2.6443 3 1 4 8 34.34 2.15 2.6111 1 5 5 8 34.35 1.42 2.6104 2 5 4 8 34.37 23.70 2.6091 3 5 1 8 34.43 3.32 2.6051 1 3 6 8 34.52 3.41 2.5983 2 6 3 8 34.70 19.31 2.5852 3 2 4 8 34.82 2.40 2.5765 2 7 1 8 35.24 10.49 2.5467 0 8 2 4 35.24 10.45 2.5465 1 8 1 8 35.49 13.67 2.5292 2 4 5 8 35.54 21.95 2.5262 3 5 2 8 35.57 1.48 2.5237 2 0 6 4 35.83 1.89 2.5062 2 1 6 8 35.97 2.79 2.4965 2 7 2 8 35.99 6.32 2.4952 4 0 1 4 36.20 4.83 2.4817 0 1 7 4 36.25 4.30 2.4783 4 1 1 8 36.39 1.87 2.4692 1 8 2 8 36.63 2.88 2.4532 4 2 0 4 37.09 2.14 2.4242 1 7 4 8 37.09 1.57 2.4238 3 0 5 4 37.11 5.29 2.4224 4 0 2 4 37.18 3.63 2.4182 2 6 4 8 37.32 5.12 2.4098 1 1 7 8 37.83 7.62 2.3783 2 7 3 8 38.05 1.16 2.3648 1 2 7 8 38.22 1.95 2.3547 1 8 3 8 38.23 17.71 2.3541 2 8 0 4 38.29 1.99 2.3508 3 6 2 8 38.47 9.04 2.3400 1 5 6 8 38.59 1.81 2.3331 2 8 1 8 38.92 5.23 2.3140 4 0 3 4 39.45 1.50 2.2840 1 9 1 8 39.52 3.31 2.2805 2 4 6 8 39.55 4.17 2.2785 4 4 0 4 39.64 5.64 2.2739 0 8 4 4 39.65 2.64 2.2732 2 8 2 8 40.02 2.12 2.2528 0 6 6 4 40.05 1.40 2.2513 3 6 3 8 40.28 1.18 2.2389 2 0 7 4 40.29 3.76 2.2384 1 7 5 8 40.30 9.38 2.2379 2 7 4 8 40.31 3.84 2.2371 3 7 1 8 40.49 7.17 2.2278 1 9 2 8 40.51 3.36 2.2266 2 1 7 8 40.67 1.54 2.2182 1 8 4 8 40.91 2.46 2.2059 3 4 5 8 40.93 2.12 2.2049 4 4 2 8 41.17 3.43 2.1926 0 9 3 4 41.21 1.71 2.1906 3 1 6 8 41.34 1.62 2.1842 3 7 2 8 41.36 2.21 2.1829 2 8 3 8 41.59 3.11 2.1712 2 5 6 8 41.89 1.19 2.1567 3 2 6 8 41.92 2.46 2.1552 0 5 7 4 42.18 7.93 2.1426 1 9 3 8 42.19 3.92 2.1421 2 9 0 4 42.20 1.83 2.1417 0 2 8 4 42.30 1.11 2.1367 1 0 8 4 42.41 3.80 2.1311 3 6 4 8 42.44 3.66 2.1297 0 10 0 2 42.60 5.73 2.1222 4 4 3 8 42.93 2.51 2.1066 3 5 5 8 43.18 2.71 2.0950 1 2 8 8 43.35 1.02 2.0875 4 3 4 8 43.50 5.98 2.0806 2 9 2 8 43.75 1.10 2.0691 1 10 1 8 43.87 2.94 2.0638 2 4 7 8 43.94 6.16 2.0605 1 7 6 8 44.06 1.90 2.0553 4 6 0 4 44.50 1.50 2.0359 4 1 5 8 44.52 1.43 2.0351 3 4 6 8 44.86 3.36 2.0206 4 4 4 8 45.09 3.88 2.0107 2 9 3 8 45.20 1.89 2.0059 2 0 8 4 45.23 3.38 2.0047 3 7 4 8 45.26 1.47 2.0035 5 0 1 4 45.31 6.05 2.0016 3 6 5 8 45.32 4.90 2.0008 4 6 2 8 45.41 1.19 1.9971 2 1 8 8 45.76 6.00 1.9830 1 4 8 8 45.79 1.64 1.9818 2 5 7 8 46.18 1.60 1.9658 0 8 6 4 46.20 8.33 1.9648 3 8 3 8 46.27 5.91 1.9622 1 10 3 8 46.32 1.22 1.9600 0 9 5 4 46.40 2.04 1.9569 5 1 2 8 46.58 1.76 1.9496 2 10 1 8 46.74 6.19 1.9434 4 5 4 8 46.77 3.12 1.9424 2 7 6 8 46.80 3.08 1.9412 4 7 0 4 46.95 2.40 1.9354 0 1 9 4 47.02 11.11 1.9326 5 2 2 8 47.08 1.09 1.9303 2 3 8 8 47.13 4.21 1.9282 5 3 1 8 47.24 6.27 1.9240 1 9 5 8 47.25 3.47 1.9237 2 9 4 8 47.26 2.27 1.9232 3 9 1 8 47.49 1.66 1.9147 0 10 4 4 47.61 3.69 1.9099 1 5 8 8 47.65 1.49 1.9083 1 0 9 4 47.69 1.10 1.9069 4 0 6 4 47.86 1.67 1.9007 1 1 9 8 47.90 5.82 1.8993 4 1 6 8 47.92 2.20 1.8984 5 1 3 8 47.97 2.83 1.8965 1 7 7 8 47.99 1.75 1.8957 3 7 5 8 48.01 4.36 1.8951 4 7 2 8 48.32 11.43 1.8834 3 8 4 8 48.39 1.66 1.8811 1 10 4 8 48.50 2.05 1.8771 2 4 8 8 48.50 8.09 1.8770 4 2 6 8 48.51 1.15 1.8766 3 4 7 8 48.57 2.52 1.8745 0 3 9 4 48.97 1.53 1.8601 4 6 4 8 49.43 1.50 1.8437 4 5 5 8 49.44 3.19 1.8436 5 4 2 8 49.64 4.66 1.8365 3 9 3 8 49.75 4.03 1.8328 3 0 8 4 49.79 3.09 1.8315 2 8 6 8 49.79 2.55 1.8314 5 0 4 4 49.81 3.99 1.8306 1 6 8 8 49.82 1.70 1.8305 4 8 0 4 49.95 4.46 1.8260 3 1 8 8 50.29 1.98 1.8143 3 5 7 8 50.33 1.34 1.8130 5 5 1 8 50.50 1.60 1.8074 2 11 0 4 50.53 4.02 1.8062 3 2 8 8 50.57 2.76 1.8049 5 2 4 8 50.86 2.58 1.7952 4 4 6 8 50.89 1.17 1.7945 5 4 3 8 51.02 2.24 1.7902 1 10 5 8 51.09 5.34 1.7877 2 2 9 8 51.49 3.74 1.7747 4 0 7 4 51.51 9.01 1.7742 4 7 4 8 51.54 1.76 1.7733 5 3 4 8 51.66 1.87 1.7694 3 9 4 8 51.89 4.18 1.7621 3 10 2 8 52.26 10.25 1.7505 4 2 7 8 52.30 1.73 1.7491 0 0 10 2 52.32 10.04 1.7486 1 7 8 8 52.36 1.21 1.7472 5 0 5 4 52.58 5.55 1.7404 4 5 6 8 52.61 1.59 1.7397 5 5 3 8 52.87 1.34 1.7318 5 4 4 8 53.05 1.31 1.7264 2 11 3 8 53.05 3.42 1.7262 2 9 6 8 53.06 4.07 1.7260 0 2 10 4 53.08 1.23 1.7253 4 9 0 4 53.28 4.95 1.7193 5 6 2 8 53.33 2.61 1.7178 1 1 10 8 53.36 1.84 1.7170 4 9 1 8 53.37 3.80 1.7166 2 4 9 8 53.46 3.88 1.7140 1 12 2 8 54.19 1.52 1.6927 4 9 2 8 54.29 6.78 1.6896 0 8 8 4 54.50 1.26 1.6836 4 4 7 8 54.54 1.02 1.6825 5 5 4 8 54.60 1.13 1.6808 1 6 9 8 54.64 2.76 1.6798 4 6 6 8 54.82 1.24 1.6747 2 7 8 8 54.84 5.85 1.6741 2 12 0 4 54.87 2.07 1.6733 5 7 1 8 55.04 2.28 1.6685 2 5 9 8 55.21 2.01 1.6637 3 10 4 8 55.62 1.45 1.6525 2 0 10 4 55.65 2.75 1.6517 4 0 8 4 55.68 1.28 1.6508 5 7 2 8 56.09 3.19 1.6396 1 4 10 8 56.15 2.56 1.6382 4 5 7 8 56.19 3.14 1.6371 3 3 9 8 56.25 1.21 1.6355 6 3 0 4 56.37 1.10 1.6322 4 2 8 8 56.41 2.39 1.6311 0 13 1 4 56.42 4.95 1.6310 6 2 2 8 56.72 2.56 1.6230 1 12 4 8 56.84 2.06 1.6199 4 10 1 8 57.00 2.58 1.6157 4 7 6 8 57.02 1.40 1.6152 5 7 3 8 57.03 1.25 1.6149 2 6 9 8 57.31 1.49 1.6076 6 3 2 8 57.44 1.33 1.6043 3 4 9 8 57.54 1.18 1.6017 3 8 7 8 57.62 4.69 1.5998 3 10 5 8 57.63 1.97 1.5994 4 10 2 8 57.71 2.08 1.5976 1 5 10 8 57.74 2.09 1.5967 6 2 3 8 57.77 2.77 1.5960 6 4 1 8 58.00 1.96 1.5901 1 13 2 8 58.36 3.20 1.5811 5 8 2 8 58.48 1.83 1.5782 2 4 10 8 58.62 1.41 1.5747 6 3 3 8 58.79 1.05 1.5707 1 0 11 4 58.84 1.40 1.5694 5 0 7 4 58.97 1.23 1.5664 3 11 4 8 59.08 4.24 1.5636 1 12 5 8 59.09 1.30 1.5634 2 12 4 8 59.09 1.72 1.5634 6 5 0 4 59.33 1.28 1.5577 2 7 9 8 59.57 2.27 1.5520 6 2 4 8 59.58 5.20 1.5516 0 3 11 4 59.66 1.90 1.5497 5 8 3 8 59.95 4.88 1.5431 2 10 7 8 60.28 1.29 1.5354 3 2 10 8 60.38 5.37 1.5329 4 7 7 8 60.51 1.11 1.5301 2 9 8 8 60.55 6.13 1.5291 5 9 1 8 60.74 1.88 1.5248 4 10 4 8 60.90 3.15 1.5212 0 14 0 2 61.10 1.55 1.5167 1 13 4 8 61.14 1.75 1.5158 3 3 10 8 61.47 1.35 1.5084 1 10 8 8 61.91 1.69 1.4987 0 14 2 4 61.92 1.47 1.4987 1 14 1 8 62.33 1.06 1.4896 3 4 10 8 62.53 2.41 1.4855 1 9 9 8 62.56 1.91 1.4848 4 9 6 8 63.15 1.74 1.4723 3 7 9 8 63.26 1.21 1.4699 6 6 3 8 63.37 1.16 1.4678 1 13 5 8 63.86 1.02 1.4576 0 0 12 2 63.92 2.24 1.4565 1 14 3 8 64.11 1.14 1.4526 6 1 6 8 64.13 3.36 1.4522 3 13 2 8 64.61 1.28 1.4426 6 2 6 8 64.77 4.17 1.4394 2 9 9 8 64.87 1.31 1.4374 3 0 11 4 64.91 1.37 1.4366 2 14 2 8 65.32 2.72 1.4286 2 5 11 8 65.43 1.23 1.4263 6 3 6 8 65.64 1.38 1.4224 1 14 4 8 65.65 1.87 1.4222 3 8 9 8 66.18 2.03 1.4121 4 6 9 8 66.75 1.17 1.4014 1 15 1 8 66.90 5.47 1.3985 7 0 3 4 67.07 1.97 1.3955 7 1 3 8 67.13 3.03 1.3943 6 7 4 8 67.33 3.79 1.3908 2 12 7 8 67.41 1.22 1.3892 3 10 8 8 67.45 2.04 1.3886 5 10 4 8 67.56 1.07 1.3866 7 2 3 8 67.77 2.77 1.3828 6 2 7 8 67.88 1.05 1.3807 6 8 3 8 68.04 1.28 1.3779 0 12 8 4 68.30 3.12 1.3733 7 4 2 8 68.42 2.21 1.3712 3 9 9 8 68.49 1.10 1.3700 0 13 7 4 68.52 1.70 1.3695 4 13 1 8 68.56 1.50 1.3688 3 14 2 8 68.68 1.08 1.3666 2 15 0 4 68.76 2.66 1.3652 1 12 8 8 68.95 1.32 1.3619 3 5 11 8 69.16 1.52 1.3583 5 11 3 8 69.70 4.19 1.3491 6 4 7 8 69.82 1.74 1.3471 6 6 6 8 70.21 2.20 1.3405 3 8 10 8 70.41 1.65 1.3373 3 0 12 4 70.84 2.25 1.3302 2 5 12 8 70.88 3.83 1.3295 5 5 9 8 70.94 1.62 1.3285 5 12 1 8 71.33 1.26 1.3222 6 2 8 8 71.38 1.50 1.3214 5 0 10 4 71.51 1.09 1.3193 6 10 0 4 71.65 1.49 1.3171 5 12 2 8 71.84 1.27 1.3142 3 3 12 8 72.19 1.43 1.3086 1 9 11 8 72.38 1.63 1.3056 2 10 10 8 72.58 1.25 1.3025 4 14 0 4 72.80 1.78 1.2991 4 12 6 8 72.82 1.09 1.2989 4 14 1 8 73.06 1.40 1.2952 5 8 8 8 73.50 1.07 1.2885 3 14 5 8 73.59 1.57 1.2871 1 16 3 8 73.87 3.58 1.2830 0 5 13 4 73.93 1.01 1.2821 7 2 6 8 74.15 1.22 1.2787 2 3 13 8 74.17 1.51 1.2785 0 8 12 4 74.28 2.88 1.2768 2 9 11 8 74.66 1.09 1.2713 7 5 5 8 74.67 1.05 1.2711 4 14 3 8 75.21 1.19 1.2634 5 10 7 8 75.97 1.18 1.2526 0 13 9 4 76.33 1.94 1.2476 8 0 2 4 76.34 1.05 1.2475 4 10 9 8 76.84 1.33 1.2406 3 2 13 8 76.88 1.35 1.2401 1 17 1 8 77.27 1.73 1.2347 1 16 5 8 77.28 1.16 1.2346 2 16 4 8 77.64 1.33 1.2298 5 3 11 8 77.81 1.34 1.2275 7 9 1 8 78.36 1.09 1.2202 7 7 5 8 78.58 1.03 1.2174 6 12 1 8 78.64 1.63 1.2167 5 10 8 8 79.79 1.31 1.2020 6 10 6 8 80.40 1.08 1.1944 1 10 12 8 80.65 1.32 1.1912 7 8 5 8 80.74 1.38 1.1902 2 17 3 8 81.29 1.39 1.1835 8 5 3 8 81.32 1.41 1.1832 0 18 0 2 81.39 1.53 1.1823 7 10 2 8 81.47 1.39 1.1814 5 0 12 4 82.31 1.96 1.1714 1 17 5 8 82.33 1.26 1.1713 3 17 1 8 83.21 2.11 1.1611 6 9 8 8 83.73 1.06 1.1552 5 7 11 8 83.86 1.12 1.1537 5 9 10 8 83.89 2.49 1.1533 5 4 12 8 86.37 1.23 1.1265 3 13 10 8 86.79 1.87 1.1221 2 17 6 8 87.73 1.11 1.1125 8 9 0 4 87.87 2.13 1.1111 2 4 15 8 88.27 1.12 1.1071 3 18 2 8 88.40 1.02 1.1058 4 7 13 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.