K2 O17 P4 V3 Leclaire A, Chahboun H, Groult D, Raveau B Journal of Solid State Chemistry 77 (1988) 170-179 Concerning the Intersecting Tunnel Structure of a Novel Vanadyldiphosphate K2 (V O3) (P2 O7)2 and Its Structural Relationships with Other V(V) and V(IV) Phosphates and Relatives _cod_database_code 1001371 _database_code_amcsd 0013627 CELL PARAMETERS: 17.4070 11.3438 7.2964 90.000 90.000 90.000 SPACE GROUP: Pna2_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 1440.758 Density (g/cm3): 2.890 MAX. ABS. INTENSITY / VOLUME**2: 5.387577311 RIR: 0.607 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.31 29.14 9.5038 1 1 0 4 10.16 43.23 8.7035 2 0 0 2 12.82 7.95 6.9052 2 1 0 4 15.31 23.19 5.7875 1 1 1 4 15.62 1.22 5.6719 0 2 0 2 15.85 73.43 5.5915 2 0 1 2 16.44 55.59 5.3928 1 2 0 4 17.17 2.78 5.1658 3 1 0 4 17.68 1.68 5.0153 2 1 1 4 18.67 2.61 4.7519 2 2 0 4 20.41 1.45 4.3517 4 0 0 2 20.48 9.98 4.3368 1 2 1 4 21.07 1.78 4.2161 3 1 1 4 21.88 1.56 4.0630 4 1 0 4 21.91 29.34 4.0560 3 2 0 4 22.33 43.88 3.9819 2 2 1 4 23.81 1.22 3.7375 4 0 1 2 24.08 90.32 3.6951 1 3 0 4 24.40 5.29 3.6482 0 0 2 1 25.09 45.78 3.5498 4 1 1 4 25.12 54.81 3.5451 3 2 1 4 25.69 22.61 3.4681 2 3 0 4 26.16 56.83 3.4059 1 1 2 4 26.49 68.01 3.3646 2 0 2 2 26.55 8.96 3.3572 0 3 1 2 26.79 37.75 3.3282 5 1 0 4 27.05 66.34 3.2965 1 3 1 4 28.17 38.68 3.1679 3 3 0 4 29.10 2.14 3.0683 0 2 2 2 29.50 1.13 3.0280 5 1 1 4 29.56 61.53 3.0217 1 2 2 4 29.99 18.38 2.9800 3 1 2 4 30.77 14.42 2.9059 3 3 1 4 30.82 49.49 2.9012 6 0 0 2 30.90 3.85 2.8937 2 2 2 4 31.55 2.05 2.8359 0 4 0 2 31.84 24.22 2.8107 6 1 0 4 32.01 20.22 2.7957 4 0 2 2 32.58 43.30 2.7485 5 2 1 4 33.00 100.00 2.7145 4 1 2 4 33.02 13.09 2.7124 3 2 2 4 33.23 21.93 2.6964 2 4 0 4 33.23 5.64 2.6959 6 0 1 2 33.72 3.29 2.6581 4 3 1 4 34.55 7.35 2.5961 1 3 2 4 35.22 1.40 2.5479 3 4 0 4 35.49 5.03 2.5292 2 4 1 4 35.81 3.54 2.5077 4 2 2 4 36.92 1.85 2.4348 6 2 1 4 37.21 3.18 2.4166 5 3 1 4 37.38 2.00 2.4055 3 4 1 4 37.60 2.85 2.3920 3 3 2 4 37.87 1.72 2.3760 4 4 0 4 38.20 2.03 2.3562 1 1 3 4 38.43 4.59 2.3424 2 0 3 2 39.13 10.07 2.3019 5 2 2 4 39.14 3.40 2.3017 6 3 0 4 39.27 3.73 2.2940 2 1 3 4 40.28 2.27 2.2390 0 4 2 2 40.52 2.25 2.2265 6 1 2 4 40.63 1.65 2.2207 1 4 2 4 40.70 2.47 2.2171 1 2 3 4 41.02 1.03 2.2004 3 1 3 4 41.05 1.95 2.1988 5 4 0 4 41.12 13.47 2.1954 2 5 0 4 41.12 3.96 2.1951 6 3 1 4 41.50 4.25 2.1759 8 0 0 2 41.69 3.17 2.1664 0 5 1 2 42.80 10.96 2.1130 3 5 0 4 42.90 3.18 2.1080 6 2 2 4 42.96 10.26 2.1052 5 4 1 4 43.02 4.18 2.1023 2 5 1 4 43.31 3.10 2.0889 3 4 2 4 43.36 1.85 2.0868 4 1 3 4 43.40 2.59 2.0851 8 0 1 2 44.60 13.99 2.0316 1 3 3 4 44.60 3.78 2.0315 8 2 0 4 44.83 6.86 2.0219 7 1 2 4 45.06 8.86 2.0118 4 5 0 4 45.39 1.09 1.9983 7 3 1 4 45.55 5.83 1.9913 2 3 3 4 46.23 7.04 1.9637 5 1 3 4 46.66 6.05 1.9467 6 3 2 4 46.84 1.18 1.9394 4 5 1 4 47.04 4.13 1.9319 7 2 2 4 47.48 3.35 1.9149 1 5 2 4 48.13 5.31 1.8906 0 6 0 2 48.33 3.40 1.8832 5 4 2 4 48.39 9.05 1.8810 5 2 3 4 48.70 2.47 1.8697 7 4 0 4 48.73 6.02 1.8687 8 0 2 2 49.32 7.74 1.8475 2 6 0 4 49.41 1.72 1.8447 9 1 1 4 49.56 10.12 1.8392 6 1 3 4 49.66 5.57 1.8359 1 4 3 4 49.81 1.47 1.8306 9 2 0 4 49.95 2.06 1.8259 8 3 1 4 50.00 25.35 1.8241 0 0 4 1 50.55 7.88 1.8054 7 3 2 4 50.79 1.89 1.7976 3 6 0 4 50.98 4.06 1.7914 1 1 4 4 50.99 1.01 1.7910 2 6 1 4 51.47 6.31 1.7756 9 2 1 4 51.84 11.78 1.7636 5 3 3 4 51.90 15.23 1.7617 4 5 2 4 51.98 1.09 1.7593 3 4 3 4 52.42 3.49 1.7454 3 6 1 4 52.58 2.35 1.7407 10 0 0 2 52.71 1.30 1.7365 0 2 4 2 53.05 8.83 1.7263 8 4 0 4 53.19 13.89 1.7219 9 3 0 4 53.26 3.31 1.7200 3 1 4 4 53.30 2.63 1.7187 7 1 3 4 53.83 1.30 1.7029 2 2 4 4 53.95 1.19 1.6996 4 4 3 4 54.63 1.24 1.6799 8 4 1 4 54.68 1.98 1.6786 0 6 2 2 54.80 2.32 1.6753 8 3 2 4 54.92 1.87 1.6718 6 3 3 4 55.20 1.62 1.6641 4 1 4 4 55.21 2.09 1.6636 3 2 4 4 55.29 2.24 1.6614 5 6 0 4 55.77 8.12 1.6482 2 6 2 4 56.24 4.67 1.6357 1 3 4 4 56.41 3.20 1.6310 5 4 3 4 56.77 11.82 1.6216 8 0 3 2 57.05 1.34 1.6144 2 3 4 4 57.08 1.81 1.6136 1 7 0 4 57.12 2.18 1.6125 3 6 2 4 57.40 1.15 1.6053 8 1 3 4 57.42 4.65 1.6049 6 5 2 4 57.62 3.51 1.5996 5 1 4 4 58.33 1.62 1.5820 0 7 1 2 58.38 1.40 1.5808 3 3 4 4 58.59 4.32 1.5755 1 7 1 4 58.93 2.64 1.5673 11 1 0 4 58.98 2.94 1.5661 4 6 2 4 59.20 4.89 1.5608 3 7 0 4 59.27 2.04 1.5592 8 2 3 4 59.39 8.66 1.5562 10 1 2 4 59.64 8.07 1.5502 4 5 3 4 59.90 4.18 1.5442 6 0 4 2 60.28 2.40 1.5352 8 5 1 4 60.51 4.31 1.5301 6 1 4 4 60.82 1.08 1.5230 7 5 2 4 61.01 1.04 1.5187 4 7 0 4 61.22 7.26 1.5140 10 2 2 4 61.31 1.17 1.5120 5 6 2 4 61.36 4.41 1.5109 2 4 4 4 61.83 5.74 1.5005 9 1 3 4 62.22 1.15 1.4920 11 2 1 4 62.32 1.10 1.4900 6 2 4 4 62.99 2.64 1.4757 1 7 2 4 63.17 2.39 1.4719 9 5 0 4 63.20 1.79 1.4712 2 6 3 4 63.30 2.38 1.4692 5 7 0 4 63.74 5.52 1.4600 2 7 2 4 63.76 3.51 1.4598 11 3 0 4 63.81 1.70 1.4586 7 1 4 4 64.39 1.86 1.4469 4 4 4 4 64.45 1.48 1.4456 3 6 3 4 64.60 1.09 1.4428 9 5 1 4 64.61 4.36 1.4424 8 5 2 4 64.74 1.12 1.4400 11 1 2 4 64.78 3.81 1.4392 2 0 5 2 64.79 1.00 1.4389 12 1 0 4 65.17 1.96 1.4314 11 3 1 4 65.62 2.60 1.4227 12 0 1 2 65.93 1.36 1.4169 1 5 4 4 66.04 3.04 1.4148 6 7 0 4 66.11 1.07 1.4133 1 8 0 4 66.20 1.18 1.4117 12 1 1 4 66.36 2.08 1.4086 1 2 5 4 66.54 5.20 1.4054 9 3 3 4 66.66 1.72 1.4030 2 5 4 4 66.79 2.21 1.4006 8 6 1 4 67.10 2.21 1.3950 2 2 5 4 67.43 2.96 1.3889 6 7 1 4 67.88 1.97 1.3808 3 5 4 4 67.92 2.90 1.3801 7 5 3 4 68.25 2.38 1.3743 10 4 2 4 68.30 3.08 1.3734 4 1 5 4 68.31 3.42 1.3731 3 2 5 4 68.38 1.44 1.3719 5 6 3 4 68.78 2.17 1.3650 9 5 2 4 68.90 1.09 1.3628 5 7 2 4 68.98 1.51 1.3614 0 3 5 2 69.20 2.57 1.3577 7 7 0 4 69.22 2.54 1.3573 1 3 5 4 69.22 1.70 1.3573 8 2 4 4 69.34 1.98 1.3553 11 3 2 4 69.44 1.73 1.3535 3 8 1 4 69.57 2.67 1.3513 4 5 4 4 69.97 2.75 1.3446 1 7 3 4 70.33 1.02 1.3385 12 1 2 4 70.46 1.16 1.3365 5 1 5 4 70.52 2.64 1.3355 9 4 3 4 70.91 2.05 1.3291 8 6 2 4 71.13 2.28 1.3254 3 3 5 4 71.37 1.02 1.3217 0 8 2 2 71.51 1.37 1.3193 8 5 3 4 71.63 1.04 1.3174 11 1 3 4 71.93 3.19 1.3127 0 6 4 2 72.01 1.90 1.3114 12 2 2 4 72.13 4.81 1.3095 5 2 5 4 72.21 1.54 1.3082 13 1 1 4 72.76 1.02 1.2997 8 7 0 4 73.14 1.11 1.2940 1 4 5 4 73.25 1.26 1.2923 11 4 2 4 73.29 1.21 1.2916 10 5 2 4 73.49 2.18 1.2886 3 8 2 4 73.84 1.03 1.2834 2 4 5 4 74.03 3.98 1.2806 10 6 0 4 74.48 1.67 1.2740 6 8 0 4 74.77 2.81 1.2697 12 3 2 4 74.91 4.03 1.2677 9 6 2 4 74.99 1.35 1.2665 10 4 3 4 75.01 1.45 1.2663 3 4 5 4 75.49 1.48 1.2593 10 0 4 2 75.88 3.43 1.2538 8 4 4 4 76.00 3.14 1.2522 9 3 4 4 76.61 1.12 1.2437 13 3 1 4 76.64 1.05 1.2434 14 0 0 2 76.96 1.36 1.2389 1 9 1 4 77.21 1.32 1.2356 5 8 2 4 77.44 1.76 1.2325 6 3 5 4 77.50 3.10 1.2317 3 9 0 4 77.83 2.59 1.2272 13 2 2 4 78.04 1.37 1.2245 9 7 1 4 78.05 1.69 1.2243 8 7 2 4 78.68 2.91 1.2161 0 0 6 1 78.70 1.37 1.2159 5 4 5 4 78.80 1.03 1.2145 14 2 0 4 78.88 1.13 1.2135 11 6 0 4 78.92 1.48 1.2130 2 8 3 4 79.83 1.03 1.2015 11 4 3 4 80.06 1.18 1.1986 3 8 3 4 80.86 1.02 1.1888 11 1 4 4 81.09 1.67 1.1859 3 7 4 4 81.66 1.50 1.1792 4 8 3 4 82.69 4.89 1.1671 7 8 2 4 83.70 2.38 1.1555 5 8 3 4 84.06 1.76 1.1515 11 6 2 4 84.60 1.45 1.1455 9 5 4 4 84.72 1.02 1.1442 5 7 4 4 84.77 1.21 1.1436 9 8 0 4 85.00 1.74 1.1411 9 2 5 4 85.13 2.12 1.1397 11 3 4 4 85.22 3.07 1.1387 14 4 0 4 85.40 1.07 1.1368 12 6 1 4 85.76 2.92 1.1330 3 6 5 4 87.20 1.32 1.1179 6 7 4 4 88.80 1.17 1.1018 14 1 3 4 88.93 1.44 1.1006 7 5 5 4 89.22 2.22 1.0977 4 10 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.