K3(MoO)4(PO4)5 Hoareau T, Leclaire A, Borel M, Grandin A, Raveau B Journal of Solid State Chemistry 114 (1995) 61-65 A Mo(V) monophosphate with a tunnel structure: K3(MoO)4(PO4)5 _cod_database_code 1001644 _database_code_amcsd 0013834 CELL PARAMETERS: 9.6760 14.3660 28.3910 90.000 90.000 90.000 SPACE GROUP: Pbca X-RAY WAVELENGTH: 1.541838 Cell Volume: 3946.501 Density (g/cm3): 3.500 MAX. ABS. INTENSITY / VOLUME**2: 7.498385706 RIR: 0.698 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 6.23 24.40 14.1955 0 0 2 2 11.07 16.09 7.9953 1 0 2 4 11.46 7.71 7.7228 1 1 1 8 12.32 89.26 7.1830 0 2 0 2 12.47 90.97 7.0977 0 0 4 2 12.67 1.19 6.9862 1 1 2 8 12.71 4.60 6.9636 0 2 1 4 13.82 2.18 6.4092 0 2 2 4 14.47 2.36 6.1208 1 1 3 8 15.48 13.58 5.7231 1 0 4 4 15.49 7.25 5.7216 0 2 3 4 15.68 1.46 5.6521 1 2 1 8 16.59 10.41 5.3433 1 2 2 8 17.57 59.73 5.0487 0 2 4 4 18.01 27.18 4.9250 1 2 3 8 18.34 25.37 4.8380 2 0 0 2 18.75 11.95 4.7318 0 0 6 2 19.15 4.63 4.6353 1 1 5 8 19.36 17.36 4.5850 2 1 0 4 19.38 33.40 4.5794 2 0 2 4 19.61 7.00 4.5263 2 1 1 8 19.84 24.92 4.4761 1 2 4 8 19.93 6.83 4.4545 0 2 5 4 20.35 12.65 4.3630 2 1 2 8 20.90 4.19 4.2508 1 0 6 4 20.93 27.56 4.2436 1 3 1 8 21.54 21.64 4.1262 2 1 3 8 21.63 53.25 4.1082 1 3 2 8 21.80 64.98 4.0761 1 1 6 8 21.97 8.48 4.0463 1 2 5 8 22.15 2.32 4.0127 2 2 0 4 22.24 22.03 3.9976 2 0 4 4 22.75 8.08 3.9087 1 3 3 8 23.03 1.82 3.8614 2 2 2 8 23.09 14.96 3.8513 2 1 4 8 24.09 3.04 3.6943 2 2 3 8 24.23 99.34 3.6726 1 3 4 8 24.33 1.24 3.6582 1 2 6 8 24.59 2.70 3.6198 1 1 7 8 24.79 6.06 3.5915 0 4 0 2 24.96 25.15 3.5672 2 1 5 8 24.99 5.00 3.5631 0 4 1 4 25.22 11.42 3.5317 0 2 7 4 25.50 44.84 3.4931 2 2 4 8 25.58 10.92 3.4818 0 4 2 4 26.02 15.49 3.4238 1 3 5 8 26.55 1.23 3.3578 0 4 3 4 26.66 100.00 3.3436 1 4 1 8 26.76 26.44 3.3318 1 0 8 4 26.87 38.05 3.3177 1 2 7 8 27.21 6.62 3.2770 2 2 5 8 27.22 4.78 3.2761 1 4 2 8 27.48 51.25 3.2457 1 1 8 8 27.84 49.02 3.2046 0 4 4 4 27.86 2.31 3.2026 2 3 3 8 28.04 77.10 3.1817 0 2 8 4 28.07 2.80 3.1790 1 3 6 8 28.13 6.42 3.1722 1 4 3 8 29.18 1.85 3.0604 2 2 6 8 29.36 6.84 3.0421 1 4 4 8 29.40 21.34 3.0379 2 1 7 8 29.43 7.00 3.0353 0 4 5 4 29.55 21.24 3.0225 1 2 8 8 29.92 6.49 2.9862 3 1 3 8 30.32 2.98 2.9478 1 3 7 8 30.44 2.63 2.9364 3 0 4 4 30.55 39.06 2.9267 3 2 1 8 30.63 23.90 2.9192 2 3 5 8 30.96 2.28 2.8883 0 2 9 4 31.01 1.79 2.8838 2 4 0 4 31.04 1.87 2.8811 3 2 2 8 31.09 97.82 2.8769 3 1 4 8 31.27 1.09 2.8608 0 4 6 4 31.36 2.37 2.8525 2 2 7 8 31.51 1.93 2.8391 0 0 10 2 31.85 79.95 2.8097 3 2 3 8 31.89 1.75 2.8064 2 1 8 8 32.35 17.83 2.7676 1 2 9 8 32.46 2.82 2.7585 2 4 3 8 32.74 10.04 2.7350 1 3 8 8 32.88 5.39 2.7243 1 0 10 4 32.95 6.16 2.7180 3 2 4 8 33.13 7.70 2.7039 1 5 2 8 33.32 9.78 2.6888 0 4 7 4 33.48 3.44 2.6766 1 1 10 8 33.54 8.93 2.6717 2 4 4 8 33.65 2.63 2.6633 3 3 1 8 33.72 3.78 2.6584 2 2 8 8 34.11 2.89 2.6289 3 3 2 8 34.33 14.44 2.6124 3 2 5 8 34.40 1.78 2.6071 2 3 7 8 34.51 5.65 2.5989 2 1 9 8 34.85 4.27 2.5743 3 3 3 8 34.90 1.70 2.5712 2 4 5 8 34.94 2.95 2.5678 1 5 4 8 35.56 9.53 2.5244 0 4 8 4 35.87 16.20 2.5032 3 3 4 8 36.22 4.95 2.4800 2 2 9 8 36.25 4.65 2.4782 1 5 5 8 36.51 2.58 2.4611 2 5 1 8 36.58 5.09 2.4564 2 3 8 8 36.70 2.49 2.4486 2 0 10 4 36.93 2.98 2.4338 2 5 2 8 37.01 2.11 2.4290 0 2 11 4 37.56 2.26 2.3943 0 6 0 2 37.63 3.53 2.3903 2 5 3 8 37.70 2.35 2.3859 0 6 1 4 37.71 2.87 2.3854 4 1 0 4 37.72 1.09 2.3846 4 0 2 4 37.77 8.68 2.3816 3 2 7 8 37.85 2.53 2.3770 4 1 1 8 37.96 1.02 2.3701 0 4 9 4 38.03 1.65 2.3661 3 4 2 8 38.03 1.94 2.3659 0 0 12 2 38.66 1.07 2.3287 3 3 6 8 38.71 3.92 2.3261 3 4 3 8 38.80 4.40 2.3212 0 6 3 4 38.86 6.73 2.3177 2 2 10 8 38.88 1.99 2.3165 1 6 1 8 38.93 2.43 2.3136 2 3 9 8 39.30 1.56 2.2925 4 2 0 4 39.43 1.20 2.2851 4 2 1 8 39.55 2.93 2.2786 1 5 7 8 39.65 1.40 2.2733 3 4 4 8 39.72 7.62 2.2694 1 1 12 8 39.79 11.88 2.2653 2 5 5 8 39.83 16.30 2.2632 4 2 2 8 40.13 4.09 2.2472 0 2 12 4 40.30 1.52 2.2380 2 4 8 8 40.49 4.94 2.2281 4 2 3 8 40.50 4.35 2.2272 0 4 10 4 40.80 9.62 2.2118 1 3 11 8 40.91 6.03 2.2062 0 6 5 4 41.04 16.64 2.1992 4 1 5 8 41.50 15.52 2.1759 1 5 8 8 41.95 3.76 2.1539 4 0 6 4 41.96 7.69 2.1529 4 3 1 8 42.11 5.39 2.1459 2 6 0 4 42.23 7.48 2.1398 2 6 1 8 42.30 9.82 2.1364 0 6 6 4 42.31 1.90 2.1362 3 3 8 8 42.42 2.51 2.1311 3 0 10 4 42.47 12.50 2.1284 2 4 9 8 42.53 1.23 2.1258 4 2 5 8 42.53 4.98 2.1254 2 0 12 4 42.61 3.80 2.1218 2 6 2 8 42.62 6.61 2.1213 3 5 2 8 42.86 1.87 2.1098 2 5 7 8 42.92 1.06 2.1073 1 1 13 8 42.97 2.04 2.1051 4 3 3 8 43.02 1.73 2.1025 2 1 12 8 43.16 1.31 2.0959 0 4 11 4 43.23 2.23 2.0928 2 6 3 8 43.24 6.18 2.0923 3 5 3 8 43.69 12.13 2.0719 1 3 12 8 43.84 4.99 2.0653 3 4 7 8 43.91 4.49 2.0619 0 6 7 4 44.09 2.84 2.0541 2 6 4 8 44.22 3.31 2.0484 1 4 11 8 44.35 2.72 2.0424 1 2 13 8 44.40 1.80 2.0403 3 3 9 8 44.69 2.15 2.0279 0 0 14 2 44.70 7.78 2.0275 2 5 8 8 44.80 9.71 2.0231 2 4 10 8 44.91 7.08 2.0182 4 3 5 8 45.17 3.20 2.0073 2 6 5 8 45.18 1.48 2.0069 3 5 5 8 45.19 1.14 2.0063 4 4 0 4 45.31 1.61 2.0014 4 4 1 8 45.64 6.55 1.9878 1 7 2 8 45.67 1.28 1.9866 4 4 2 8 45.71 10.04 1.9848 0 6 8 4 45.83 1.53 1.9798 4 1 8 8 45.93 3.43 1.9757 0 4 12 4 46.03 10.31 1.9717 2 1 13 8 46.17 6.12 1.9661 1 1 14 8 46.48 2.95 1.9539 3 5 6 8 46.65 1.24 1.9470 3 3 10 8 46.70 5.04 1.9450 2 5 9 8 46.82 9.66 1.9403 3 2 11 8 46.94 1.10 1.9358 1 4 12 8 47.07 3.04 1.9307 4 4 4 8 47.20 1.61 1.9257 4 2 8 8 47.26 2.60 1.9232 2 4 11 8 47.68 1.57 1.9072 0 6 9 4 47.80 8.33 1.9027 4 1 9 8 47.86 2.32 1.9006 5 1 2 8 48.07 6.04 1.8928 1 7 5 8 48.10 6.56 1.8917 4 4 5 8 48.12 1.57 1.8911 3 1 12 8 48.16 8.21 1.8893 2 7 0 4 48.28 1.97 1.8852 2 7 1 8 48.33 1.08 1.8833 1 5 11 8 48.69 3.91 1.8703 2 0 14 4 48.78 2.98 1.8670 5 0 4 4 48.85 15.28 1.8645 5 2 1 8 49.04 2.52 1.8574 3 3 11 8 49.09 2.60 1.8556 3 6 4 8 49.12 4.58 1.8546 2 1 14 8 49.18 1.18 1.8528 2 7 3 8 49.21 6.98 1.8515 5 1 4 8 49.35 6.05 1.8466 4 5 1 8 49.41 2.01 1.8446 4 3 8 8 49.50 11.71 1.8413 4 0 10 4 49.65 1.43 1.8363 2 6 8 8 49.66 2.12 1.8360 3 5 8 8 49.73 1.79 1.8335 1 3 14 8 49.82 1.32 1.8303 0 2 15 4 49.86 1.07 1.8291 2 4 12 8 50.09 2.66 1.8210 3 6 5 8 50.24 1.83 1.8161 4 5 3 8 50.51 1.08 1.8070 5 2 4 8 50.74 7.03 1.7993 1 7 7 8 50.77 2.02 1.7984 1 2 15 8 50.85 1.40 1.7958 0 8 0 2 50.88 2.42 1.7947 1 5 12 8 50.89 2.14 1.7942 3 1 13 8 50.94 2.88 1.7927 2 7 5 8 50.99 2.57 1.7912 5 0 6 4 51.19 2.48 1.7847 2 5 11 8 51.33 3.46 1.7801 5 3 2 8 51.41 1.21 1.7774 5 1 6 8 51.52 3.67 1.7740 3 5 9 8 51.57 1.02 1.7722 3 3 12 8 51.89 4.91 1.7622 1 8 1 8 51.97 1.46 1.7594 4 5 5 8 52.04 12.15 1.7574 3 4 11 8 52.16 2.87 1.7536 3 2 13 8 52.22 2.11 1.7518 4 1 11 8 52.29 2.67 1.7495 2 1 15 8 52.36 10.46 1.7474 1 7 8 8 52.43 2.78 1.7453 1 0 16 4 52.66 1.40 1.7380 5 2 6 8 53.52 1.08 1.7122 0 8 5 4 53.53 3.75 1.7119 2 6 10 8 53.55 5.88 1.7113 1 5 13 8 53.64 1.05 1.7087 2 5 12 8 53.98 1.31 1.6987 4 6 1 8 54.03 1.88 1.6971 5 2 7 8 54.07 1.22 1.6960 1 2 16 8 54.15 1.08 1.6937 1 7 9 8 54.22 3.38 1.6918 3 3 13 8 54.42 1.86 1.6860 1 8 5 8 54.51 1.18 1.6835 4 5 7 8 54.51 2.70 1.6835 2 8 0 4 54.53 1.01 1.6829 0 6 12 4 54.61 2.59 1.6806 2 8 1 8 54.64 4.18 1.6798 4 1 12 8 54.71 3.89 1.6777 5 3 6 8 54.75 2.04 1.6767 5 4 3 8 54.81 5.83 1.6748 4 6 3 8 54.83 1.64 1.6744 0 4 15 4 55.48 1.50 1.6562 3 7 5 8 55.53 1.51 1.6548 2 1 16 8 55.53 8.23 1.6548 4 6 4 8 55.55 4.28 1.6542 1 8 6 8 55.71 2.05 1.6501 2 6 11 8 55.71 1.29 1.6498 3 5 11 8 56.05 2.05 1.6408 5 3 7 8 56.05 1.08 1.6408 4 5 8 8 56.09 20.35 1.6398 1 3 16 8 56.22 2.81 1.6362 2 5 13 8 56.39 2.18 1.6318 5 4 5 8 56.58 1.17 1.6267 0 2 17 4 56.60 6.21 1.6260 3 7 6 8 56.80 6.18 1.6209 2 7 9 8 56.88 2.39 1.6189 1 8 7 8 57.08 2.72 1.6135 0 6 13 4 57.19 2.83 1.6108 4 1 13 8 57.51 2.69 1.6026 6 1 0 4 57.56 9.92 1.6012 5 3 8 8 57.65 1.34 1.5991 5 0 10 4 57.76 3.21 1.5961 4 5 9 8 57.81 2.80 1.5949 5 5 2 8 57.81 2.78 1.5948 4 3 12 8 57.93 1.54 1.5918 3 2 15 8 57.94 1.03 1.5916 1 6 13 8 58.03 2.78 1.5895 2 6 12 8 58.03 2.83 1.5893 3 5 12 8 58.22 1.50 1.5847 1 7 11 8 58.31 1.39 1.5823 2 4 15 8 58.67 6.34 1.5735 6 2 0 4 58.70 7.19 1.5729 2 7 10 8 58.71 8.24 1.5726 6 0 4 4 58.71 1.17 1.5725 1 9 1 8 58.79 8.02 1.5707 5 4 7 8 58.85 1.58 1.5692 2 1 17 8 58.92 3.18 1.5674 2 5 14 8 59.00 2.09 1.5655 5 5 4 8 59.12 1.38 1.5626 4 7 1 8 59.21 1.20 1.5606 0 8 9 4 59.23 1.29 1.5599 1 5 15 8 59.25 2.43 1.5595 3 8 2 8 59.48 1.63 1.5541 4 0 14 4 59.50 8.50 1.5536 1 9 3 8 59.64 1.78 1.5503 4 5 10 8 59.74 2.53 1.5478 3 8 3 8 59.75 1.30 1.5477 1 1 18 8 59.76 3.14 1.5475 0 6 14 4 59.84 3.59 1.5457 3 1 16 8 59.86 1.29 1.5451 3 3 15 8 59.88 1.08 1.5446 5 5 5 8 60.00 1.18 1.5419 2 2 17 8 60.19 3.29 1.5375 1 9 4 8 60.32 1.36 1.5344 4 6 8 8 60.43 1.27 1.5320 3 8 4 8 60.48 4.62 1.5308 1 7 12 8 60.48 3.24 1.5307 2 6 13 8 60.50 4.64 1.5302 4 4 12 8 60.59 2.31 1.5282 4 7 4 8 60.67 1.10 1.5265 6 0 6 4 60.89 1.88 1.5214 1 2 18 8 61.00 2.71 1.5189 4 2 14 8 61.20 2.20 1.5143 0 4 17 4 61.24 2.66 1.5136 5 2 11 8 61.46 2.20 1.5087 4 7 5 8 61.52 1.89 1.5073 2 9 2 8 61.68 1.26 1.5039 4 5 11 8 61.74 6.65 1.5024 2 5 15 8 61.96 2.45 1.4977 4 6 9 8 62.11 3.69 1.4943 1 9 6 8 62.17 1.23 1.4931 6 2 6 8 62.35 5.43 1.4892 3 8 6 8 62.54 1.93 1.4852 2 8 9 8 62.66 2.73 1.4827 4 1 15 8 62.76 4.16 1.4805 1 3 18 8 62.85 3.71 1.4787 3 3 16 8 62.88 1.55 1.4780 1 7 13 8 63.08 1.06 1.4737 3 5 14 8 63.15 2.08 1.4723 5 6 4 8 63.20 7.79 1.4712 6 4 0 4 63.30 2.28 1.4692 6 4 1 8 63.35 9.32 1.4682 6 0 8 4 63.41 1.81 1.4670 6 2 7 8 63.52 1.46 1.4646 2 9 5 8 63.58 1.29 1.4633 6 4 2 8 63.58 1.60 1.4633 3 8 7 8 63.72 1.20 1.4606 6 1 8 8 63.86 1.10 1.4576 4 5 12 8 64.12 3.90 1.4524 3 2 17 8 64.71 1.41 1.4405 6 4 4 8 64.82 1.73 1.4384 6 2 8 8 64.99 1.90 1.4350 3 8 8 8 65.03 1.14 1.4343 5 6 6 8 65.26 4.03 1.4296 5 3 12 8 65.30 1.01 1.4288 2 7 13 8 65.41 1.13 1.4267 3 4 16 8 65.73 4.39 1.4207 2 1 19 8 65.79 4.07 1.4195 0 0 20 2 65.94 1.22 1.4167 3 3 17 8 66.19 3.96 1.4118 4 5 13 8 66.29 3.16 1.4101 2 8 11 8 66.70 1.04 1.4022 6 0 10 4 66.94 1.18 1.3979 1 1 20 8 67.22 1.20 1.3926 5 7 3 8 67.57 2.41 1.3864 5 3 13 8 67.72 5.64 1.3836 2 5 17 8 67.84 1.07 1.3815 4 6 12 8 67.86 1.89 1.3811 5 7 4 8 68.17 1.04 1.3756 2 10 1 8 68.18 1.28 1.3754 6 3 9 8 68.60 1.11 1.3681 4 1 17 8 68.64 1.33 1.3673 3 5 16 8 68.90 1.02 1.3628 2 10 3 8 69.30 1.84 1.3558 7 2 1 8 69.53 1.17 1.3520 2 10 4 8 69.60 1.01 1.3508 7 1 4 8 69.78 1.76 1.3477 1 3 20 8 70.05 3.07 1.3433 5 4 13 8 70.20 1.85 1.3407 3 8 11 8 70.39 2.85 1.3376 6 6 0 4 70.41 1.06 1.3372 2 9 10 8 70.69 1.55 1.3325 6 0 12 4 70.89 1.58 1.3294 2 5 18 8 71.06 1.19 1.3266 7 3 1 8 71.27 1.16 1.3232 4 5 15 8 71.33 1.20 1.3223 7 3 2 8 71.82 1.94 1.3144 6 6 4 8 72.01 1.52 1.3114 4 8 9 8 72.03 1.08 1.3110 1 9 12 8 72.05 1.16 1.3107 5 8 2 8 72.09 4.21 1.3102 6 2 12 8 72.18 1.95 1.3087 5 7 8 8 72.25 1.37 1.3076 3 8 12 8 72.26 3.77 1.3074 0 10 9 4 72.29 1.79 1.3071 2 9 11 8 72.40 1.01 1.3052 4 7 12 8 72.48 1.34 1.3040 2 10 7 8 72.50 1.09 1.3038 5 8 3 8 72.58 3.45 1.3025 5 1 16 8 72.62 2.58 1.3019 6 6 5 8 72.75 1.05 1.2999 3 10 3 8 73.13 1.54 1.2940 3 1 20 8 73.43 2.83 1.2895 1 3 21 8 73.69 1.37 1.2856 4 8 10 8 73.87 1.07 1.2829 7 1 8 8 74.16 2.81 1.2787 7 3 6 8 74.16 1.49 1.2786 2 5 19 8 74.69 1.15 1.2708 3 5 18 8 75.00 1.84 1.2663 4 1 19 8 75.29 1.34 1.2622 6 0 14 4 75.30 1.75 1.2621 7 3 7 8 75.31 1.73 1.2619 1 11 5 8 75.47 1.25 1.2596 2 11 1 8 75.83 3.28 1.2546 1 4 21 8 76.04 2.19 1.2516 6 6 8 8 76.04 1.05 1.2516 1 8 16 8 76.56 1.48 1.2444 7 5 1 8 76.60 2.60 1.2438 7 3 8 8 76.78 1.06 1.2414 2 11 4 8 76.94 2.11 1.2393 5 6 13 8 76.96 2.39 1.2389 4 7 14 8 77.02 1.66 1.2382 7 1 10 8 77.32 3.25 1.2340 4 10 1 8 77.53 1.67 1.2312 4 8 12 8 77.56 1.09 1.2309 3 10 8 8 78.39 1.87 1.2199 4 1 20 8 79.11 1.09 1.2106 1 9 15 8 79.16 1.46 1.2099 5 7 12 8 79.42 1.30 1.2066 3 3 21 8 79.69 1.10 1.2033 4 8 13 8 80.21 1.45 1.1967 3 9 13 8 80.52 1.36 1.1929 0 12 2 4 80.60 1.48 1.1919 2 1 23 8 80.73 1.25 1.1903 5 5 16 8 81.26 1.08 1.1839 2 6 20 8 81.32 1.25 1.1832 2 9 15 8 81.73 1.63 1.1783 5 9 7 8 81.76 2.02 1.1779 3 4 21 8 81.98 1.13 1.1753 7 5 8 8 82.67 1.67 1.1672 0 2 24 4 83.08 2.39 1.1626 4 5 19 8 83.20 1.53 1.1611 2 12 1 8 83.30 1.02 1.1600 3 11 7 8 83.47 2.96 1.1581 7 3 12 8 84.57 2.42 1.1458 1 9 17 8 84.75 1.10 1.1438 3 5 21 8 84.78 1.29 1.1435 3 8 17 8 85.26 1.20 1.1383 3 2 23 8 86.38 1.19 1.1264 4 11 5 8 86.88 1.13 1.1212 4 4 21 8 87.65 1.42 1.1133 5 3 20 8 87.71 1.07 1.1127 8 0 10 4 88.25 1.08 1.1073 3 1 24 8 88.69 1.87 1.1029 5 7 16 8 89.07 1.12 1.0992 8 3 9 8 89.47 1.55 1.0953 5 2 21 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.