Ca4 H16 K4 O44 P12 Averbuch-Pouchot M, Durif A Acta Crystallographica C44 (1988) 212-216 Crystal structures of two new types of cyclo-tetraphosphates: tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate and calcium disodium cyclo-tetraphosphate 5.5-hydrate _cod_database_code 1007178 _database_code_amcsd 0010061 CELL PARAMETERS: 20.3800 12.6830 7.8300 90.000 89.310 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 2023.748 Density (g/cm3): 2.311 MAX. ABS. INTENSITY / VOLUME**2: 4.808609398 RIR: 0.677 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.21 1.62 10.7679 1 1 0 4 13.94 26.33 6.3517 1 1 1 4 13.97 5.41 6.3415 0 2 0 2 14.03 2.31 6.3134 -1 1 1 4 14.18 34.90 6.2447 2 0 1 2 14.35 19.07 6.1725 -2 0 1 2 14.63 34.82 6.0551 1 2 0 4 14.79 100.00 5.9881 3 1 0 4 15.82 10.11 5.6024 2 1 1 4 15.97 4.74 5.5501 -2 1 1 4 16.46 10.27 5.3839 2 2 0 4 17.41 4.39 5.0946 4 0 0 2 18.00 5.11 4.9279 0 2 1 4 18.49 7.46 4.7981 1 2 1 4 18.56 5.07 4.7815 -1 2 1 4 18.77 12.73 4.7275 4 1 0 4 19.95 1.35 4.4495 2 2 1 4 20.07 2.21 4.4231 -2 2 1 4 20.69 7.50 4.2939 4 0 1 2 20.92 5.12 4.2469 -4 0 1 2 21.47 3.53 4.1395 1 3 0 4 21.85 22.01 4.0671 4 1 1 4 22.07 7.17 4.0271 -4 1 1 4 22.21 7.66 4.0032 3 2 1 4 22.37 17.42 3.9745 -3 2 1 4 22.38 6.70 3.9717 4 2 0 4 22.71 19.57 3.9147 0 0 2 2 22.77 6.87 3.9049 2 3 0 4 22.92 28.21 3.8803 5 1 0 4 23.92 1.87 3.7200 0 3 1 4 24.14 4.26 3.6867 1 1 2 4 24.24 7.41 3.6716 -1 1 2 4 24.30 5.34 3.6632 1 3 1 4 24.46 3.01 3.6396 -2 0 2 2 24.81 2.70 3.5893 3 3 0 4 25.05 13.25 3.5555 4 2 1 4 25.24 11.24 3.5287 -4 2 1 4 25.27 7.26 3.5246 2 1 2 4 25.44 1.76 3.5008 2 3 1 4 25.46 2.89 3.4984 -2 1 2 4 25.54 9.10 3.4880 -2 3 1 4 25.74 13.20 3.4610 -5 1 1 4 25.99 27.40 3.4286 5 2 0 4 26.24 7.55 3.3964 6 0 0 2 26.76 36.37 3.3311 0 2 2 4 27.08 6.50 3.2927 3 1 2 4 27.17 9.73 3.2821 -1 2 2 4 27.18 10.45 3.2808 6 1 0 4 27.27 2.27 3.2707 3 3 1 4 27.35 21.04 3.2608 -3 1 2 4 27.40 2.84 3.2549 -3 3 1 4 27.41 14.05 3.2534 4 3 0 4 28.10 2.64 3.1758 2 2 2 4 28.14 2.94 3.1707 0 4 0 2 28.31 1.42 3.1524 5 2 1 4 28.49 20.94 3.1331 1 4 0 4 28.59 4.62 3.1224 4 0 2 2 29.39 6.99 3.0385 6 1 1 4 29.46 6.67 3.0318 4 1 2 4 29.50 14.85 3.0275 2 4 0 4 29.65 4.13 3.0134 -6 1 1 4 29.65 5.59 3.0126 4 3 1 4 29.75 5.42 3.0030 3 2 2 4 29.79 5.76 2.9987 -4 1 2 4 29.82 5.94 2.9962 -4 3 1 4 30.00 2.92 2.9788 -3 2 2 4 30.42 4.97 2.9389 0 4 1 4 30.46 10.09 2.9342 5 3 0 4 30.76 1.72 2.9069 -1 4 1 4 31.13 8.69 2.8732 3 4 0 4 31.41 15.81 2.8478 1 3 2 4 31.49 10.00 2.8408 -1 3 2 4 31.53 1.14 2.8374 7 1 0 4 31.65 6.71 2.8272 2 4 1 4 31.95 10.68 2.8012 4 2 2 4 32.26 20.60 2.7751 -4 2 2 4 32.30 4.58 2.7718 5 1 2 4 32.46 6.59 2.7583 -2 3 2 4 32.49 10.96 2.7555 5 3 1 4 32.68 3.41 2.7398 -5 3 1 4 33.16 2.99 2.7017 3 4 1 4 33.28 31.76 2.6920 4 4 0 4 33.77 3.15 2.6540 3 3 2 4 33.85 6.72 2.6478 6 3 0 4 34.36 7.23 2.6098 0 0 3 2 34.60 6.54 2.5923 5 2 2 4 34.76 1.11 2.5809 6 0 2 2 34.96 5.43 2.5664 -5 2 2 4 35.18 2.11 2.5507 4 4 1 4 35.19 2.01 2.5503 -6 0 2 2 35.33 1.51 2.5407 -4 4 1 4 35.34 9.82 2.5401 1 1 3 4 35.40 15.22 2.5355 2 0 3 2 35.61 4.37 2.5209 -2 0 3 2 35.67 11.27 2.5172 1 5 0 4 35.88 1.08 2.5026 5 4 0 4 35.91 2.05 2.5011 -6 3 1 4 35.96 9.57 2.4974 8 1 0 4 36.47 3.22 2.4639 0 4 2 4 36.50 4.45 2.4615 2 5 0 4 36.71 2.06 2.4483 1 4 2 4 36.98 3.46 2.4310 8 0 1 2 37.26 1.70 2.4134 0 2 3 4 37.44 1.82 2.4018 3 1 3 4 37.48 1.18 2.3998 1 2 3 4 37.55 1.21 2.3953 -1 5 1 4 37.63 3.08 2.3905 6 2 2 4 37.82 1.75 2.3787 -5 4 1 4 37.86 1.11 2.3763 3 5 0 4 37.94 7.58 2.3712 -8 1 1 4 38.03 4.20 2.3661 -6 2 2 4 38.07 3.24 2.3637 8 2 0 4 38.78 3.05 2.3219 3 4 2 4 38.86 1.28 2.3177 6 4 0 4 38.96 2.87 2.3115 -4 0 3 2 38.98 2.26 2.3103 7 1 2 4 39.63 2.25 2.2740 -4 1 3 4 39.71 1.66 2.2699 8 2 1 4 39.78 4.36 2.2662 -3 2 3 4 39.97 1.10 2.2559 -8 2 1 4 40.47 5.03 2.2290 9 1 0 4 40.63 3.56 2.2207 0 3 3 4 40.92 4.67 2.2052 -1 3 3 4 40.97 1.66 2.2028 6 3 2 4 41.21 1.52 2.1905 4 2 3 4 41.34 1.82 2.1840 4 5 1 4 41.35 2.15 2.1837 -6 3 2 4 41.53 1.44 2.1745 2 3 3 4 41.58 1.84 2.1717 -4 2 3 4 41.94 5.54 2.1542 -5 1 3 4 42.01 1.68 2.1506 9 1 1 4 42.09 1.45 2.1469 8 0 2 2 42.29 1.17 2.1372 -9 1 1 4 42.39 6.86 2.1324 9 2 0 4 42.71 2.56 2.1168 8 1 2 4 42.74 1.75 2.1158 -1 5 2 4 42.74 1.51 2.1157 5 4 2 4 43.02 2.33 2.1026 1 6 0 4 43.16 1.09 2.0962 -8 3 1 4 43.20 4.39 2.0943 -8 1 2 4 43.36 2.95 2.0869 5 2 3 4 43.37 3.66 2.0865 2 5 2 4 43.49 10.61 2.0811 -2 5 2 4 43.67 4.37 2.0729 7 4 1 4 43.81 2.02 2.0666 -5 2 3 4 44.01 1.18 2.0575 -6 0 3 2 44.09 1.14 2.0541 6 1 3 4 44.33 10.42 2.0434 4 3 3 4 44.39 1.01 2.0408 0 6 1 4 44.58 1.27 2.0324 6 5 0 4 44.68 3.34 2.0282 -4 3 3 4 45.02 3.51 2.0136 -8 2 2 4 45.06 2.14 2.0120 10 1 0 4 45.18 2.11 2.0071 1 4 3 4 45.26 1.99 2.0034 -1 4 3 4 45.35 1.82 1.9998 -2 6 1 4 45.88 2.60 1.9780 10 0 1 2 45.88 1.56 1.9778 6 2 3 4 46.33 1.13 1.9596 -4 5 2 4 46.39 7.90 1.9574 0 0 4 2 46.40 2.65 1.9571 -6 2 3 4 46.50 1.98 1.9528 -3 6 1 4 47.03 2.40 1.9322 7 1 3 4 47.11 2.82 1.9292 8 4 1 4 47.17 1.39 1.9269 -3 4 3 4 47.94 1.03 1.8975 -8 3 2 4 47.97 1.71 1.8965 4 6 1 4 48.20 1.25 1.8878 7 4 2 4 48.47 1.68 1.8782 -10 2 1 4 48.69 2.14 1.8703 0 2 4 4 48.76 3.66 1.8675 6 3 3 4 48.97 2.50 1.8600 0 6 2 4 49.25 1.60 1.8500 -6 3 3 4 49.46 1.45 1.8427 9 4 0 4 50.13 1.17 1.8198 -4 0 4 2 50.27 4.48 1.8151 8 1 3 4 50.33 4.19 1.8130 5 4 3 4 50.88 1.73 1.7946 6 6 0 4 50.90 1.27 1.7938 -8 1 3 4 50.98 2.92 1.7914 -3 6 2 4 51.03 2.82 1.7896 11 1 1 4 51.21 9.27 1.7839 2 7 0 4 51.24 2.09 1.7830 -10 3 1 4 51.38 2.36 1.7783 11 2 0 4 51.71 1.09 1.7678 -1 3 4 4 51.88 1.37 1.7623 4 2 4 4 51.93 1.12 1.7608 3 5 3 4 52.01 1.10 1.7582 -1 7 1 4 52.18 1.45 1.7531 2 3 4 4 52.30 1.12 1.7492 -4 2 4 4 53.49 1.16 1.7130 -7 5 2 4 53.58 2.42 1.7105 7 6 0 4 53.68 1.78 1.7073 -3 7 1 4 53.76 2.10 1.7050 9 1 3 4 54.93 1.06 1.6715 -4 3 4 4 55.01 1.27 1.6693 4 7 1 4 55.02 2.03 1.6690 10 3 2 4 55.12 3.36 1.6663 5 5 3 4 55.15 3.02 1.6655 -8 3 3 4 55.21 1.93 1.6638 12 0 1 2 55.32 1.40 1.6606 9 2 3 4 55.52 1.34 1.6552 -10 3 2 4 55.61 3.01 1.6526 -11 1 2 4 55.72 1.08 1.6497 -7 4 3 4 55.98 2.17 1.6426 0 6 3 4 56.00 2.94 1.6422 -9 2 3 4 56.84 1.74 1.6198 -2 6 3 4 57.14 1.06 1.6120 -11 2 2 4 57.25 1.06 1.6093 12 2 1 4 57.50 1.71 1.6027 10 1 3 4 57.54 2.12 1.6018 -12 2 1 4 57.61 1.91 1.6000 3 7 2 4 58.23 2.94 1.5844 -10 1 3 4 58.96 1.56 1.5665 2 8 0 4 59.24 1.62 1.5598 10 5 1 4 59.61 1.50 1.5510 1 1 5 4 59.63 1.32 1.5505 2 0 5 2 59.71 1.05 1.5485 -10 2 3 4 59.72 1.45 1.5485 7 5 3 4 59.86 2.77 1.5452 9 6 0 4 59.87 2.04 1.5449 -2 0 5 2 60.15 1.07 1.5383 7 7 0 4 60.97 2.12 1.5195 -5 6 3 4 60.99 1.09 1.5193 12 2 2 4 61.23 1.17 1.5138 4 8 0 4 61.47 1.03 1.5085 11 1 3 4 62.25 1.74 1.4914 4 1 5 4 62.44 2.95 1.4872 4 8 1 4 62.65 1.13 1.4829 6 7 2 4 62.79 2.62 1.4798 -3 2 5 4 63.10 1.99 1.4733 12 4 1 4 63.27 1.24 1.4698 13 3 0 4 63.97 1.43 1.4553 2 8 2 4 64.13 1.12 1.4521 -4 2 5 4 64.42 1.18 1.4464 -5 1 5 4 64.91 1.08 1.4366 6 8 0 4 65.15 1.09 1.4319 -3 3 5 4 65.18 1.55 1.4313 4 7 3 4 66.06 1.23 1.4143 6 8 1 4 67.21 1.15 1.3929 2 4 5 4 67.56 1.36 1.3865 5 3 5 4 67.93 2.86 1.3798 3 9 0 4 69.89 1.70 1.3460 8 8 0 4 70.95 1.09 1.3284 15 2 0 4 70.98 1.29 1.3279 8 8 1 4 71.38 1.53 1.3214 13 2 3 4 72.01 1.14 1.3115 4 8 3 4 72.43 2.79 1.3049 0 0 6 2 74.19 1.06 1.2781 0 2 6 4 74.43 1.31 1.2747 -1 2 6 4 74.59 1.24 1.2723 -15 1 2 4 75.11 1.18 1.2648 -14 0 3 2 76.12 1.38 1.2506 -12 6 2 4 77.23 1.36 1.2353 8 4 5 4 78.04 1.02 1.2245 -11 6 3 4 80.23 1.05 1.1964 9 9 0 4 83.37 1.14 1.1592 1 5 6 4 84.81 1.11 1.1432 7 9 3 4 85.23 1.09 1.1386 -1 10 3 4 85.24 1.78 1.1385 -7 9 3 4 85.88 2.06 1.1316 16 2 3 4 86.84 1.63 1.1216 -15 4 3 4 87.54 1.32 1.1144 4 10 3 4 89.99 1.57 1.0903 4 8 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.