Cu H8 K4 O22 P6 Durif A, Averbuch-Pouchot M Acta Crystallographica C43 (1987) 819-821 Structure of tetrapotassium copper cyclo-triphosphate tetrahydrate. _cod_database_code 1007164 _database_code_amcsd 0010037 CELL PARAMETERS: 8.5100 14.3030 8.4870 90.000 96.510 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 1026.364 Density (g/cm3): 2.478 MAX. ABS. INTENSITY / VOLUME**2: 4.636787031 RIR: 0.609 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.16 14.35 7.2785 1 1 0 4 12.18 31.65 7.2639 0 1 1 4 12.38 6.40 7.1515 0 2 0 2 15.29 1.81 5.7967 -1 1 1 4 16.23 75.34 5.4603 1 2 0 4 16.25 8.37 5.4541 0 2 1 4 16.85 66.04 5.2616 1 1 1 4 18.70 2.38 4.7445 -1 2 1 4 21.01 5.52 4.2276 2 0 0 2 21.07 1.64 4.2161 0 0 2 2 21.41 42.38 4.1502 0 3 1 4 22.43 50.65 3.9635 -2 0 1 2 23.29 3.30 3.8196 -2 1 1 4 23.33 36.74 3.8133 -1 1 2 4 23.34 58.69 3.8107 -1 3 1 4 24.41 1.78 3.6460 1 3 1 4 24.46 37.12 3.6392 2 2 0 4 24.60 17.55 3.6184 2 0 1 2 25.39 33.45 3.5079 2 1 1 4 25.43 100.00 3.5030 1 1 2 4 25.70 25.45 3.4667 -2 2 1 4 27.08 40.77 3.2933 1 4 0 4 27.09 40.71 3.2920 0 4 1 4 27.63 20.10 3.2287 2 2 1 4 27.66 3.79 3.2248 1 2 2 4 28.15 33.81 3.1704 -2 0 2 2 28.21 8.25 3.1631 2 3 0 4 28.26 1.73 3.1583 0 3 2 4 28.66 8.04 3.1146 -1 4 1 4 28.84 28.60 3.0953 -2 1 2 4 29.30 29.04 3.0479 -2 3 1 4 29.33 53.55 3.0446 -1 3 2 4 29.55 58.92 3.0228 1 4 1 4 30.85 3.41 2.8984 -2 2 2 4 31.03 16.21 2.8823 2 3 1 4 31.84 19.42 2.8108 0 0 3 2 32.38 2.19 2.7652 3 1 0 4 32.80 13.17 2.7301 2 4 0 4 32.84 4.37 2.7270 0 4 2 4 33.02 5.22 2.7125 -1 1 3 4 33.06 2.07 2.7097 1 5 0 4 33.07 3.16 2.7090 0 5 1 4 33.79 10.74 2.6528 -1 4 2 4 33.96 1.26 2.6400 -2 3 2 4 34.08 13.17 2.6308 2 2 2 4 34.28 8.01 2.6160 0 2 3 4 34.81 14.07 2.5770 -1 2 3 4 35.15 6.35 2.5529 1 5 1 4 35.26 16.45 2.5450 3 1 1 4 35.29 4.52 2.5434 2 4 1 4 35.34 1.21 2.5401 1 1 3 4 36.32 3.70 2.4735 -2 0 3 2 36.88 1.43 2.4373 -2 1 3 4 36.95 32.05 2.4331 2 3 2 4 37.03 5.78 2.4278 1 2 3 4 37.05 20.97 2.4262 3 3 0 4 37.63 1.21 2.3903 -1 3 3 4 37.74 6.02 2.3838 0 6 0 2 37.93 15.76 2.3722 -2 4 2 4 38.01 5.78 2.3672 0 5 2 4 38.47 4.20 2.3401 -3 2 2 4 38.51 18.81 2.3376 -2 2 3 4 38.82 4.63 2.3196 -2 5 1 4 38.85 9.62 2.3181 -1 5 2 4 39.27 1.29 2.2944 1 6 0 4 39.28 2.94 2.2939 0 6 1 4 39.65 6.14 2.2734 3 3 1 4 40.76 10.90 2.2135 3 4 0 4 40.84 23.00 2.2098 0 4 3 4 41.11 3.53 2.1956 -2 3 3 4 41.23 2.16 2.1894 -3 4 1 4 41.30 3.50 2.1862 -1 4 3 4 42.48 8.17 2.1282 3 2 2 4 42.51 6.85 2.1264 2 2 3 4 42.90 1.45 2.1081 0 0 4 2 42.91 3.57 2.1075 -4 0 1 2 43.17 5.38 2.0956 3 4 1 4 43.27 9.63 2.0909 -3 1 3 4 43.40 6.45 2.0850 -4 1 1 4 43.51 2.77 2.0798 -1 1 4 4 44.37 1.11 2.0418 -1 6 2 4 44.50 3.25 2.0358 -3 4 2 4 44.54 13.64 2.0342 -2 4 3 4 44.71 8.45 2.0271 4 2 0 4 44.82 12.24 2.0220 0 2 4 4 44.95 2.29 2.0168 -1 2 4 4 45.23 1.34 2.0049 0 5 3 4 45.57 4.65 1.9907 2 6 1 4 45.65 6.01 1.9872 -1 5 3 4 45.68 7.27 1.9861 1 7 0 4 45.98 1.98 1.9740 1 1 4 4 46.33 1.91 1.9596 -2 1 4 4 46.71 1.87 1.9448 -1 7 1 4 47.02 2.28 1.9324 4 3 0 4 47.14 14.57 1.9280 0 3 4 4 47.24 5.91 1.9240 4 2 1 4 47.26 1.21 1.9235 -1 3 4 4 47.30 4.07 1.9218 1 7 1 4 47.39 2.35 1.9185 3 5 1 4 47.44 7.18 1.9163 1 5 3 4 47.62 2.07 1.9098 -4 2 2 4 47.70 3.50 1.9066 -2 2 4 4 47.73 6.39 1.9053 -2 6 2 4 48.13 1.01 1.8904 2 4 3 4 48.63 15.16 1.8723 -3 5 2 4 48.69 3.29 1.8700 3 1 3 4 49.55 5.08 1.8397 2 7 0 4 49.83 5.58 1.8300 -4 3 2 4 50.03 1.55 1.8230 2 6 2 4 50.12 1.33 1.8201 3 6 0 4 50.13 9.16 1.8196 4 4 0 4 50.25 5.71 1.8156 -4 4 1 4 50.44 1.22 1.8092 4 0 2 2 50.52 2.64 1.8065 2 0 4 2 50.57 2.85 1.8048 -1 6 3 4 50.87 2.26 1.7949 4 1 2 4 51.51 1.10 1.7743 -3 1 4 4 52.01 6.01 1.7584 3 5 2 4 52.15 2.16 1.7539 4 2 2 4 52.23 4.16 1.7515 2 2 4 4 52.30 1.17 1.7492 1 8 0 4 52.57 1.68 1.7409 1 4 4 4 52.72 1.07 1.7361 -4 2 3 4 52.89 7.63 1.7310 -2 4 4 4 53.23 2.36 1.7208 -1 8 1 4 53.38 6.04 1.7165 -2 6 3 4 53.94 4.86 1.6999 -3 5 3 4 54.04 3.49 1.6970 0 5 4 4 54.14 4.21 1.6940 -1 5 4 4 54.65 3.39 1.6794 -1 1 5 4 54.65 7.26 1.6793 5 1 0 4 55.05 1.54 1.6683 3 4 3 4 55.55 7.08 1.6543 3 7 0 4 55.61 1.24 1.6527 0 7 3 4 55.86 6.15 1.6460 0 8 2 4 55.87 2.75 1.6456 5 2 0 4 55.92 1.95 1.6441 -3 7 1 4 56.40 5.03 1.6314 -2 0 5 2 56.52 1.02 1.6282 3 6 2 4 56.55 9.69 1.6274 2 6 3 4 56.80 1.31 1.6209 -2 1 5 4 57.05 2.65 1.6143 4 4 2 4 57.12 1.06 1.6126 5 1 1 4 57.48 1.22 1.6033 3 7 1 4 57.51 2.64 1.6024 1 8 2 4 57.88 1.85 1.5932 3 1 4 4 58.20 2.10 1.5852 -4 0 4 2 58.30 6.70 1.5827 5 2 1 4 58.34 4.74 1.5816 4 6 0 4 58.44 2.22 1.5792 0 6 4 4 58.54 1.10 1.5767 -1 6 4 4 58.59 1.44 1.5756 -4 1 4 4 58.60 1.19 1.5753 -2 7 3 4 58.63 2.32 1.5747 3 5 3 4 59.01 7.82 1.5654 4 2 3 4 59.15 1.09 1.5619 1 9 0 4 59.34 1.19 1.5573 -2 8 2 4 59.75 1.61 1.5476 -4 2 4 4 60.24 2.21 1.5363 5 3 1 4 60.38 4.75 1.5331 1 3 5 4 60.78 6.23 1.5239 -4 6 2 4 60.85 2.57 1.5223 -2 6 4 4 61.12 1.22 1.5163 -3 5 4 4 61.41 1.11 1.5097 3 8 0 4 61.47 1.93 1.5086 0 8 3 4 61.60 1.11 1.5056 2 7 3 4 62.46 5.25 1.4868 -5 4 2 4 63.23 3.15 1.4707 3 8 1 4 63.27 3.54 1.4697 1 8 3 4 63.30 5.40 1.4691 4 7 0 4 63.49 4.10 1.4652 -1 7 4 4 63.82 1.77 1.4585 -5 5 1 4 64.01 1.09 1.4547 -5 3 3 4 64.10 1.05 1.4528 -3 3 5 4 64.10 3.42 1.4528 0 5 5 4 64.26 5.94 1.4496 -3 8 2 4 64.68 1.06 1.4412 4 6 2 4 64.75 1.90 1.4398 2 6 4 4 64.82 1.07 1.4384 2 3 5 4 66.33 1.20 1.4092 6 0 0 2 66.41 1.07 1.4077 4 1 4 4 66.66 1.62 1.4030 -3 4 5 4 66.90 2.47 1.3985 3 5 4 4 67.25 2.55 1.3921 -5 1 4 4 67.60 3.21 1.3857 -1 2 6 4 67.85 2.05 1.3813 -2 0 6 2 67.98 1.48 1.3790 0 2 6 4 68.06 2.12 1.3776 -1 9 3 4 68.29 1.21 1.3735 3 1 5 4 68.38 1.25 1.3719 -4 2 5 4 68.77 3.45 1.3650 -3 8 3 4 68.77 3.05 1.3650 6 0 1 2 68.95 1.43 1.3619 -1 8 4 4 69.10 2.74 1.3593 -6 2 2 4 69.32 1.82 1.3555 1 1 6 4 69.36 1.05 1.3549 3 2 5 4 69.38 2.64 1.3545 0 10 2 4 69.39 2.00 1.3543 -1 3 6 4 69.41 1.06 1.3540 3 9 1 4 69.45 2.39 1.3533 1 9 3 4 69.87 1.34 1.3463 -4 7 3 4 70.71 2.21 1.3322 4 8 1 4 70.83 1.44 1.3303 3 6 4 4 70.84 1.11 1.3302 2 10 1 4 72.43 1.78 1.3048 -5 7 1 4 72.62 2.07 1.3019 -4 4 5 4 73.36 1.68 1.2905 2 0 6 2 73.50 2.15 1.2885 -2 4 6 4 73.72 4.61 1.2852 1 11 0 4 74.31 1.32 1.2765 5 6 2 4 74.31 1.97 1.2765 2 10 2 4 74.58 1.97 1.2725 6 2 2 4 74.67 1.80 1.2711 -3 3 6 4 74.70 1.23 1.2708 2 8 4 4 74.91 1.07 1.2677 -1 9 4 4 75.11 2.31 1.2648 -4 8 3 4 75.16 1.03 1.2641 6 5 0 4 76.69 4.27 1.2426 1 9 4 4 76.99 1.30 1.2386 -3 10 2 4 77.12 3.16 1.2368 -4 0 6 2 77.41 4.01 1.2329 5 2 4 4 77.48 1.71 1.2319 6 5 1 4 78.65 4.82 1.2165 4 6 4 4 79.10 3.02 1.2107 0 6 6 4 79.99 1.00 1.1994 -6 5 3 4 80.07 2.19 1.1984 -6 3 4 4 80.11 1.32 1.1980 -7 2 1 4 80.33 2.43 1.1952 -5 4 5 4 80.71 1.87 1.1906 -2 1 7 4 80.93 1.30 1.1879 0 2 7 4 81.21 1.16 1.1845 6 6 1 4 81.48 3.05 1.1812 -7 2 2 4 81.72 1.27 1.1783 6 5 2 4 81.84 1.42 1.1770 -3 11 1 4 82.36 1.73 1.1709 7 3 0 4 83.04 2.26 1.1629 4 10 1 4 83.17 1.52 1.1615 7 2 1 4 83.69 1.60 1.1556 -6 6 3 4 83.78 1.90 1.1546 -7 1 3 4 84.44 1.52 1.1473 -6 0 5 2 84.46 3.12 1.1470 0 12 2 4 84.49 1.25 1.1467 5 5 4 4 85.14 2.05 1.1395 -5 9 2 4 85.58 1.53 1.1349 2 6 6 4 85.84 1.35 1.1321 2 12 1 4 86.86 1.02 1.1214 2 10 4 4 88.82 1.37 1.1017 -5 8 4 4 88.86 1.11 1.1013 -5 9 3 4 89.70 1.28 1.0931 -2 8 6 4 89.83 1.26 1.0919 -5 4 6 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.