Ca H11 Na2 O17.5 P4 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 1007179 _database_code_amcsd 0010062 CELL PARAMETERS: 27.8800 7.5360 7.3780 90.000 90.000 90.000 SPACE GROUP: Pma2 X-RAY WAVELENGTH: 1.541838 Cell Volume: 1550.145 Density (g/cm3): 2.099 MAX. ABS. INTENSITY / VOLUME**2: 4.188036121 RIR: 0.650 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 6.34 2.73 13.9400 2 0 0 2 11.74 77.54 7.5360 0 1 0 2 12.00 61.26 7.3780 0 0 1 1 12.70 16.28 6.9700 4 0 0 2 13.36 57.02 6.6293 2 1 0 4 13.58 92.55 6.5210 2 0 1 2 16.82 31.15 5.2720 0 1 1 2 17.12 56.83 5.1802 1 1 1 4 17.33 7.59 5.1169 4 1 0 4 17.50 2.34 5.0666 4 0 1 2 17.99 42.10 4.9311 2 1 1 4 19.36 23.64 4.5855 3 1 1 4 19.81 1.26 4.4824 5 1 0 4 21.13 12.68 4.2047 4 1 1 4 22.48 2.21 3.9552 6 1 0 4 22.61 26.42 3.9319 6 0 1 2 23.22 5.98 3.8308 5 1 1 4 23.83 3.68 3.7341 1 2 0 4 24.12 7.21 3.6890 0 0 2 1 24.47 9.94 3.6375 2 2 0 4 24.97 20.12 3.5662 2 0 2 2 25.29 1.06 3.5213 7 1 0 4 25.51 3.15 3.4919 3 2 0 4 25.56 24.71 3.4850 8 0 0 2 26.56 3.25 3.3557 0 2 1 2 26.76 1.90 3.3317 1 2 1 4 26.90 12.60 3.3146 4 2 0 4 26.91 10.75 3.3133 0 1 2 2 27.10 34.66 3.2902 1 1 2 4 27.34 100.00 3.2625 2 2 1 4 27.35 5.94 3.2605 4 0 2 2 27.67 33.94 3.2235 2 1 2 4 28.08 4.01 3.1779 7 1 1 4 28.21 18.07 3.1631 8 1 0 4 28.28 3.76 3.1562 3 2 1 4 28.32 21.12 3.1512 8 0 1 2 28.60 6.44 3.1209 3 1 2 4 29.54 1.51 3.0235 4 2 1 4 29.86 6.24 2.9924 4 1 2 4 30.75 50.39 2.9072 8 1 1 4 31.22 4.79 2.8652 9 1 0 4 32.92 28.03 2.7205 6 2 1 4 33.21 6.44 2.6977 6 1 2 4 33.55 1.09 2.6708 9 1 1 4 34.01 7.92 2.6360 0 2 2 2 34.17 2.56 2.6243 1 2 2 4 34.29 2.90 2.6148 10 1 0 4 34.39 18.89 2.6080 10 0 1 2 34.63 4.26 2.5901 2 2 2 4 34.96 4.58 2.5663 7 2 1 4 35.07 7.84 2.5585 8 2 0 4 35.23 2.23 2.5472 7 1 2 4 35.40 2.74 2.5360 3 2 2 4 35.43 32.66 2.5333 8 0 2 2 35.74 4.52 2.5120 0 3 0 2 35.89 5.28 2.5019 1 3 0 4 36.34 2.33 2.4722 2 3 0 4 36.44 2.53 2.4656 4 2 2 4 36.54 2.52 2.4593 0 0 3 1 37.07 1.22 2.4250 3 3 0 4 37.20 2.38 2.4173 8 2 1 4 37.44 1.37 2.4023 11 1 0 4 37.45 2.66 2.4013 8 1 2 4 37.59 2.93 2.3929 9 2 0 4 37.75 3.56 2.3831 5 2 2 4 37.83 1.89 2.3780 0 3 1 2 37.98 2.95 2.3693 1 3 1 4 38.08 1.57 2.3632 4 3 0 4 38.40 1.94 2.3441 2 3 1 4 38.51 4.06 2.3380 0 1 3 2 38.65 4.42 2.3298 1 1 3 4 38.83 1.35 2.3192 4 0 3 2 39.07 1.23 2.3058 2 1 3 4 39.10 1.09 2.3037 3 3 1 4 39.30 6.29 2.2928 6 2 2 4 39.34 1.47 2.2903 5 3 0 4 39.45 1.23 2.2843 11 1 1 4 39.59 6.47 2.2762 9 2 1 4 40.06 6.27 2.2506 4 3 1 4 40.56 3.04 2.2242 10 0 2 2 40.64 3.33 2.2202 12 1 0 4 40.70 5.26 2.2166 4 1 3 4 40.72 8.01 2.2161 12 0 1 2 41.06 2.17 2.1982 7 2 2 4 41.55 2.90 2.1737 6 0 3 2 41.90 1.16 2.1561 5 1 3 4 42.14 12.99 2.1444 10 2 1 4 42.37 3.79 2.1333 10 1 2 4 42.55 1.69 2.1247 7 3 0 4 42.71 9.20 2.1169 6 3 1 4 43.01 2.57 2.1030 11 2 0 4 43.02 7.13 2.1023 8 2 2 4 43.32 6.87 2.0885 6 1 3 4 43.59 4.48 2.0763 0 3 2 2 43.72 1.06 2.0706 1 3 2 4 44.09 3.44 2.0539 1 2 3 4 44.10 11.94 2.0537 2 3 2 4 44.37 1.58 2.0417 7 3 1 4 44.46 1.26 2.0378 8 3 0 4 44.47 5.50 2.0374 2 2 3 4 44.72 1.14 2.0264 3 3 2 4 44.81 5.24 2.0225 11 2 1 4 44.96 1.91 2.0163 7 1 3 4 45.03 2.08 2.0131 11 1 2 4 45.12 1.35 2.0094 8 0 3 2 46.18 7.31 1.9659 12 0 2 2 46.22 2.57 1.9643 8 3 1 4 46.79 1.52 1.9415 8 1 3 4 47.47 2.42 1.9154 10 2 2 4 47.60 1.80 1.9102 12 2 1 4 47.82 3.22 1.9023 12 1 2 4 47.99 1.83 1.8957 6 3 2 4 48.25 3.15 1.8863 9 3 1 4 48.31 4.80 1.8840 0 4 0 2 48.34 2.50 1.8828 6 2 3 4 48.43 1.20 1.8797 1 4 0 4 48.78 4.87 1.8670 2 4 0 4 49.41 3.61 1.8445 0 0 4 1 49.42 4.99 1.8443 10 0 3 2 49.87 3.40 1.8286 2 0 4 2 50.44 5.39 1.8092 10 3 1 4 50.50 1.12 1.8071 13 2 1 4 50.97 1.33 1.7916 0 1 4 2 50.98 10.25 1.7915 10 1 3 4 50.98 1.69 1.7912 3 4 1 4 51.21 2.42 1.7837 8 3 2 4 51.55 3.98 1.7730 8 2 3 4 51.77 2.46 1.7659 4 4 1 4 52.04 5.33 1.7573 0 3 3 2 52.15 2.62 1.7539 1 3 3 4 52.20 1.15 1.7524 14 0 2 2 52.48 3.42 1.7435 2 3 3 4 52.50 5.65 1.7430 12 2 2 4 52.52 8.40 1.7425 16 0 0 2 52.75 1.71 1.7352 4 1 4 4 52.77 1.31 1.7348 5 4 1 4 52.79 1.15 1.7342 11 3 1 4 53.10 2.37 1.7247 9 3 2 4 53.80 4.59 1.7040 4 3 3 4 54.32 1.07 1.6889 12 0 3 2 54.71 2.09 1.6779 0 4 2 2 55.15 2.36 1.6653 10 3 2 4 55.28 1.02 1.6618 12 3 1 4 55.47 1.68 1.6565 10 2 3 4 55.54 3.04 1.6545 16 1 1 4 55.57 2.03 1.6537 1 2 4 4 55.78 1.30 1.6480 12 1 3 4 55.89 1.29 1.6451 2 2 4 4 56.31 1.25 1.6339 7 1 4 4 56.41 2.99 1.6313 4 4 2 4 56.95 1.25 1.6170 8 4 1 4 57.15 6.45 1.6118 4 2 4 4 57.23 2.03 1.6097 9 4 0 4 57.30 1.19 1.6078 7 3 3 4 58.59 1.02 1.5756 16 0 2 2 58.71 1.29 1.5727 9 4 1 4 58.85 2.04 1.5691 8 3 3 4 58.98 1.56 1.5660 17 1 1 4 59.61 1.74 1.5509 9 1 4 4 59.73 2.65 1.5482 12 3 2 4 60.03 2.95 1.5412 12 2 3 4 60.15 2.76 1.5383 10 0 4 2 60.64 2.21 1.5272 10 4 1 4 61.08 2.27 1.5172 18 1 0 4 61.14 2.33 1.5158 18 0 1 2 61.32 1.71 1.5118 8 4 2 4 61.52 3.17 1.5072 10 1 4 4 61.92 1.03 1.4985 2 5 0 4 62.47 1.92 1.4867 0 3 4 2 62.47 2.64 1.4867 10 3 3 4 62.57 2.79 1.4846 1 3 4 4 62.86 1.13 1.4784 2 3 4 4 62.94 1.22 1.4767 0 5 1 2 63.04 1.09 1.4746 1 5 1 4 63.33 2.70 1.4685 2 5 1 4 64.06 3.94 1.4536 16 2 2 4 64.43 1.19 1.4462 1 1 5 4 64.72 2.53 1.4404 2 1 5 4 64.86 1.12 1.4376 10 4 2 4 64.88 1.79 1.4372 14 3 2 4 65.57 1.33 1.4237 6 4 3 4 66.10 1.52 1.4136 19 1 1 4 66.49 1.32 1.4063 18 2 1 4 67.08 2.89 1.3952 0 5 2 2 67.15 3.19 1.3940 20 0 0 2 67.46 1.58 1.3883 2 5 2 4 68.26 2.82 1.3740 0 2 5 2 68.30 1.30 1.3732 17 3 0 4 68.50 1.25 1.3698 20 0 1 2 68.57 1.57 1.3686 14 4 0 4 68.60 1.54 1.3681 4 5 2 4 68.63 1.48 1.3675 8 3 4 4 69.08 1.08 1.3597 8 5 1 4 69.13 2.63 1.3588 8 0 5 2 69.44 1.05 1.3535 5 5 2 4 70.22 1.05 1.3404 9 3 4 4 70.52 1.96 1.3354 18 2 2 4 71.98 2.13 1.3119 10 3 4 4 72.06 1.13 1.3106 18 0 3 2 72.42 1.13 1.3050 10 5 1 4 73.05 1.37 1.2953 8 5 2 4 73.74 1.13 1.2849 20 1 2 4 74.19 2.58 1.2782 8 2 5 4 76.47 1.12 1.2456 12 0 5 2 77.11 1.22 1.2370 1 6 1 4 77.44 1.89 1.2325 10 2 5 4 77.70 1.25 1.2289 12 1 5 4 78.01 1.90 1.2249 2 0 6 2 78.21 1.47 1.2223 11 5 2 4 79.49 2.80 1.2057 8 5 3 4 80.34 1.25 1.1952 8 3 5 4 81.12 1.05 1.1855 22 2 1 4 81.39 1.32 1.1824 7 6 1 4 82.49 1.05 1.1693 11 4 4 4 82.69 1.55 1.1671 10 5 3 4 82.87 1.33 1.1649 2 2 6 4 83.13 1.30 1.1620 18 3 3 4 83.53 1.17 1.1574 20 3 2 4 84.52 1.16 1.1464 12 4 4 4 85.90 1.61 1.1314 18 2 4 4 86.56 2.86 1.1245 12 5 3 4 87.39 2.82 1.1159 12 3 5 4 88.84 1.12 1.1015 17 3 4 4 89.80 1.43 1.0921 20 3 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.