H12 Na4 O24 P6 Rb2 Averbuch-Pouchot M, Durif A Acta Crystallographica C47 (1991) 932-936 Crystal chemistry of cyclo-hexaphosphates. XV. Structures of sodium ammonium cyclo-hexaphosphate dihydrate and sodium rubidium cyclo-hexaphosphate hexahydrate _cod_database_code 1007194 _database_code_amcsd 0010251 CELL PARAMETERS: 7.5320 9.7520 8.7300 113.920 102.290 85.000 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 572.729 Density (g/cm3): 2.449 MAX. ABS. INTENSITY / VOLUME**2: 3.811324503 RIR: 0.507 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.92 3.35 8.9144 0 1 0 2 11.30 64.65 7.8271 0 0 1 2 11.71 17.43 7.5565 0 -1 1 2 12.03 17.20 7.3594 1 0 0 2 14.83 12.82 5.9742 -1 0 1 2 15.13 69.20 5.8542 -1 -1 1 2 15.61 2.34 5.6779 1 1 0 2 15.62 24.01 5.6726 -1 1 0 2 17.81 25.10 4.9813 0 1 1 2 18.35 24.32 4.8351 1 -1 1 2 18.58 2.15 4.7743 0 -2 1 2 19.92 47.35 4.4572 0 2 0 2 20.25 22.93 4.3842 -1 1 1 2 20.85 9.72 4.2606 0 -1 2 2 20.93 3.21 4.2445 -1 -2 1 2 21.77 42.10 4.0830 -1 -1 2 2 22.72 7.41 3.9135 0 0 2 2 22.76 43.63 3.9072 1 1 1 2 23.32 1.37 3.8141 1 2 0 2 23.34 25.32 3.8109 -1 2 0 2 23.39 21.67 3.8025 1 -2 1 2 23.58 1.98 3.7738 -1 0 2 2 24.19 61.14 3.6797 2 0 0 2 24.36 17.25 3.6534 -1 -2 2 2 24.83 43.79 3.5858 -2 -1 1 2 26.19 4.07 3.4025 2 1 0 2 26.66 64.40 3.3436 0 2 1 2 27.83 15.99 3.2060 1 0 2 2 28.32 42.99 3.1518 0 1 2 2 28.32 1.26 3.1516 -2 1 1 2 28.39 72.30 3.1435 -1 2 1 2 28.48 100.00 3.1340 -2 -1 2 2 28.52 61.85 3.1294 1 -2 2 2 28.75 5.60 3.1051 2 0 1 2 28.80 23.64 3.0998 -2 -2 1 2 28.93 81.34 3.0866 2 -1 1 2 29.02 1.07 3.0770 -1 1 2 2 29.21 29.32 3.0570 -1 -3 1 2 29.65 49.96 3.0126 0 -3 2 2 29.91 2.23 2.9871 -2 0 2 2 30.26 33.07 2.9537 1 2 1 2 30.31 15.54 2.9485 -1 -3 2 2 30.54 2.10 2.9271 -2 -2 2 2 31.07 36.56 2.8782 1 -3 1 2 31.43 20.14 2.8463 -1 -1 3 2 31.54 1.86 2.8363 -2 2 0 2 31.67 3.64 2.8249 0 -1 3 2 31.89 48.95 2.8063 -1 -2 3 2 31.97 28.61 2.7991 2 1 1 2 32.13 12.30 2.7855 0 -2 3 2 32.45 2.19 2.7589 2 -2 1 2 32.48 23.82 2.7563 1 3 0 2 34.15 2.34 2.6255 -1 0 3 2 34.37 33.25 2.6090 0 0 3 2 34.44 27.63 2.6038 -2 1 2 2 34.73 1.73 2.5830 -2 2 1 2 35.42 3.58 2.5344 -1 -3 3 2 35.46 6.96 2.5312 2 -1 2 2 35.55 22.61 2.5255 -2 -3 2 2 35.64 8.27 2.5188 0 -3 3 2 35.75 7.50 2.5118 -2 -1 3 2 36.06 5.82 2.4907 0 2 2 2 36.15 5.52 2.4845 -2 -2 3 2 36.18 20.24 2.4831 -3 0 1 2 36.36 9.16 2.4711 0 3 1 2 36.63 2.82 2.4531 3 0 0 2 36.64 14.58 2.4528 2 0 2 2 36.81 31.29 2.4419 1 -2 3 2 37.19 3.37 2.4176 2 -2 2 2 37.30 4.89 2.4106 0 -4 1 2 37.69 16.25 2.3868 -1 3 1 2 37.82 30.10 2.3788 2 2 1 2 38.04 6.29 2.3658 3 1 0 2 38.20 1.65 2.3560 -2 0 3 2 38.21 3.99 2.3551 -1 -4 2 2 38.24 3.59 2.3533 -3 -1 2 2 38.51 2.77 2.3379 2 -3 1 2 38.58 8.83 2.3334 -1 -4 1 2 38.80 2.14 2.3207 1 0 3 2 38.87 12.64 2.3171 -3 1 1 2 39.22 4.75 2.2968 -3 -2 1 2 39.36 1.20 2.2890 -3 0 2 2 39.61 2.55 2.2754 1 2 2 2 39.96 1.60 2.2560 1 -3 3 2 40.06 17.68 2.2505 1 -4 1 2 40.48 4.84 2.2286 0 4 0 2 40.50 6.10 2.2275 2 1 2 2 40.76 5.11 2.2136 3 -1 1 2 41.13 6.95 2.1948 1 -4 2 2 41.33 8.00 2.1844 -1 -4 3 2 41.51 3.28 2.1755 2 -3 2 2 41.53 1.28 2.1743 0 -4 3 2 42.06 9.63 2.1483 -3 2 0 2 42.35 8.82 2.1343 -1 -1 4 2 42.36 2.57 2.1335 1 4 0 2 42.39 5.28 2.1324 -1 4 0 2 42.82 1.59 2.1117 -2 3 1 2 43.03 10.61 2.1021 -3 1 2 2 43.07 8.58 2.1003 3 1 1 2 43.30 1.29 2.0897 -1 -3 4 2 43.45 3.80 2.0828 3 -2 1 2 43.79 4.00 2.0674 -3 -2 3 2 43.94 4.78 2.0607 -3 -3 2 2 43.94 8.91 2.0607 -3 2 1 2 44.36 3.85 2.0420 2 -1 3 2 44.37 1.19 2.0415 -2 -2 4 2 44.48 3.62 2.0370 -3 -3 1 2 44.72 1.79 2.0267 2 -2 3 2 44.82 4.10 2.0222 -2 -4 3 2 45.14 5.80 2.0088 -2 -1 4 2 45.53 2.25 1.9924 -1 3 2 2 45.59 5.24 1.9899 -1 0 4 2 46.03 2.20 1.9717 -2 -3 4 2 46.27 2.18 1.9622 2 -4 1 2 46.42 12.32 1.9560 2 0 3 2 46.48 9.97 1.9536 2 2 2 2 46.65 4.33 1.9469 -1 2 3 2 46.85 1.59 1.9391 1 -2 4 2 46.85 3.98 1.9391 0 -5 2 2 47.30 6.13 1.9219 -1 -5 2 2 47.37 5.90 1.9192 -1 -4 4 2 47.42 7.40 1.9171 3 0 2 2 47.59 5.47 1.9106 0 -5 1 2 47.69 3.33 1.9070 2 4 0 2 47.70 9.04 1.9067 -1 4 1 2 47.73 15.83 1.9054 -2 4 0 2 47.76 2.40 1.9043 3 2 1 2 47.88 13.36 1.9000 3 -2 2 2 48.04 8.27 1.8938 1 3 2 2 48.07 12.24 1.8926 3 3 0 2 48.12 3.77 1.8909 -3 3 0 2 48.23 6.80 1.8869 -2 0 4 2 48.45 15.09 1.8787 1 -3 4 2 48.58 5.50 1.8743 -4 0 1 2 48.67 1.90 1.8707 -4 -1 1 2 48.78 5.66 1.8668 -3 2 2 2 49.11 1.54 1.8550 0 -5 3 2 49.41 3.94 1.8447 -2 3 2 2 49.54 3.91 1.8398 4 0 0 2 49.78 3.17 1.8316 1 -5 2 2 49.86 2.30 1.8289 -2 2 3 2 49.87 1.10 1.8287 -3 1 3 2 49.93 11.57 1.8267 -2 -4 4 2 50.02 1.33 1.8236 -3 -4 2 2 50.41 5.44 1.8103 -3 -2 4 2 50.55 4.41 1.8057 1 0 4 2 50.65 8.27 1.8022 4 1 0 2 50.90 5.48 1.7939 -1 1 4 2 51.24 2.19 1.7829 0 5 0 2 51.50 3.77 1.7744 -3 -4 1 2 51.65 1.52 1.7696 0 1 4 2 51.92 5.99 1.7612 -3 -3 4 2 52.02 7.23 1.7580 -2 -5 3 2 52.25 9.62 1.7508 2 -4 3 2 52.82 3.65 1.7331 1 5 0 2 52.91 6.24 1.7304 -2 -5 1 2 53.00 5.45 1.7279 -1 -3 5 2 53.35 1.65 1.7172 -1 -5 4 2 53.37 1.35 1.7165 -4 -1 3 2 53.44 1.60 1.7147 4 -1 1 2 53.67 2.57 1.7079 -4 -2 3 2 53.80 3.01 1.7038 0 -2 5 2 53.94 2.35 1.6998 -3 0 4 2 54.09 7.20 1.6954 0 -5 4 2 54.12 4.72 1.6945 -1 -1 5 2 54.30 4.37 1.6893 0 -3 5 2 54.31 1.47 1.6890 -2 -2 5 2 54.36 4.83 1.6876 -4 -3 2 2 54.78 3.19 1.6757 3 -2 3 2 54.79 6.26 1.6754 2 -1 4 2 54.92 1.56 1.6718 0 4 2 2 54.94 2.61 1.6713 -4 2 1 2 55.20 1.31 1.6641 -4 0 3 2 55.24 2.94 1.6629 2 -5 1 2 55.34 7.55 1.6602 -1 4 2 2 55.41 2.54 1.6582 0 -1 5 2 55.50 3.34 1.6556 1 1 4 2 55.59 1.11 1.6532 2 -3 4 2 55.65 1.09 1.6516 4 -2 1 2 55.70 1.85 1.6503 3 4 0 2 55.91 1.78 1.6444 -2 -1 5 2 56.01 9.23 1.6417 -3 2 3 2 56.05 3.74 1.6407 -4 -3 3 2 56.15 1.22 1.6380 -3 3 2 2 56.87 2.55 1.6189 0 -4 5 2 56.96 8.41 1.6167 3 -4 2 2 57.39 1.11 1.6056 0 5 1 2 57.41 6.26 1.6051 2 5 0 2 57.49 4.71 1.6030 2 0 4 2 57.53 5.68 1.6020 1 4 2 2 57.65 1.28 1.5991 -3 -5 2 2 57.89 2.06 1.5929 -1 2 4 2 58.44 2.09 1.5792 0 -6 1 2 58.47 6.27 1.5784 1 3 3 2 58.57 1.05 1.5759 0 2 4 2 58.75 2.17 1.5717 -2 4 2 2 58.79 1.07 1.5707 2 -5 3 2 59.00 1.17 1.5656 -4 1 3 2 59.03 1.61 1.5649 4 3 0 2 59.07 1.43 1.5638 -3 -2 5 2 59.36 1.25 1.5570 -1 -6 1 2 59.39 2.70 1.5561 1 5 1 2 59.54 4.03 1.5527 -3 -3 5 2 59.54 1.44 1.5526 4 0 2 2 59.57 1.21 1.5520 -4 -1 4 2 59.66 1.83 1.5499 -4 -4 2 2 59.81 2.54 1.5463 4 -3 1 2 59.94 1.00 1.5433 4 -2 2 2 60.00 1.69 1.5418 3 1 3 2 60.13 1.34 1.5388 -1 -5 5 2 60.14 1.44 1.5385 -2 2 4 2 60.45 1.12 1.5314 1 -6 1 2 60.56 2.81 1.5290 -2 -6 3 2 60.60 2.98 1.5281 -3 -1 5 2 61.34 5.08 1.5113 0 -5 5 2 61.57 2.34 1.5063 0 -6 4 2 61.80 1.40 1.5013 -2 -5 5 2 62.15 7.33 1.4936 -4 0 4 2 62.17 1.08 1.4932 -2 5 1 2 62.29 6.66 1.4905 4 1 2 2 62.55 1.30 1.4851 3 3 2 2 63.08 1.27 1.4738 1 0 5 2 63.22 1.02 1.4708 -1 1 5 2 63.57 2.89 1.4635 -4 -4 4 2 63.67 1.87 1.4615 -5 1 1 2 63.68 5.91 1.4614 -3 3 3 2 63.91 1.32 1.4566 -5 -2 1 2 64.12 4.71 1.4524 5 1 0 2 64.19 1.60 1.4510 2 5 1 2 64.24 1.03 1.4499 3 -1 4 2 64.39 1.07 1.4470 0 1 5 2 64.66 2.09 1.4416 -3 5 0 2 64.78 1.49 1.4391 2 -6 2 2 64.96 2.26 1.4356 -5 -1 3 2 64.97 6.88 1.4354 3 -3 4 2 65.21 1.77 1.4307 -4 3 2 2 65.22 5.38 1.4305 -5 -2 3 2 65.22 2.33 1.4304 2 -6 1 2 65.34 3.34 1.4282 1 -5 5 2 65.51 1.12 1.4249 3 2 3 2 65.56 2.92 1.4239 -1 -4 6 2 65.61 3.32 1.4230 0 5 2 2 65.67 2.92 1.4217 -5 1 2 2 65.75 2.10 1.4202 0 -3 6 2 65.86 3.20 1.4182 -4 4 0 2 66.03 1.81 1.4148 -3 -6 3 2 66.38 2.31 1.4083 -4 -5 3 2 66.46 1.09 1.4068 2 -1 5 2 66.56 1.31 1.4049 -4 -5 2 2 67.04 2.09 1.3961 5 -1 1 2 67.22 1.56 1.3928 0 -4 6 2 67.41 1.22 1.3893 3 -5 3 2 67.49 1.64 1.3877 0 -6 5 2 67.71 1.58 1.3838 -1 -7 3 2 67.79 2.47 1.3824 2 -4 5 2 67.81 2.91 1.3819 -4 -1 5 2 67.92 1.85 1.3800 -2 -6 5 2 67.97 3.63 1.3792 1 5 2 2 68.43 1.09 1.3710 -4 4 1 2 68.85 1.05 1.3637 0 6 1 2 68.98 1.35 1.3613 5 -2 1 2 69.00 1.70 1.3610 -3 -3 6 2 69.08 1.97 1.3597 -2 5 2 2 69.10 3.80 1.3594 -4 -4 5 2 69.14 1.07 1.3587 -4 -5 1 2 70.26 1.23 1.3398 -2 -7 3 2 70.38 1.02 1.3378 0 -7 4 2 70.49 2.97 1.3359 1 -2 6 2 70.67 1.38 1.3330 1 6 1 2 70.72 1.31 1.3322 -5 -3 4 2 70.77 3.03 1.3313 3 4 2 2 70.86 1.27 1.3298 -1 0 6 2 71.10 1.67 1.3260 -2 -7 2 2 71.10 4.45 1.3259 -5 -4 2 2 71.20 3.81 1.3243 4 1 3 2 71.26 1.05 1.3234 -5 -4 3 2 71.47 2.06 1.3200 3 5 1 2 71.53 3.31 1.3191 1 -4 6 2 71.57 1.79 1.3184 -5 3 0 2 71.81 1.16 1.3146 1 -7 1 2 71.81 1.62 1.3146 -2 2 5 2 72.23 1.71 1.3079 5 2 1 2 72.52 1.56 1.3034 4 -4 3 2 72.54 1.91 1.3031 3 -6 2 2 72.59 2.81 1.3024 3 3 3 2 72.71 2.58 1.3005 5 -3 1 2 72.76 1.48 1.2998 -5 3 1 2 72.95 1.43 1.2969 5 0 2 2 73.07 2.21 1.2949 -3 3 4 2 73.12 4.09 1.2942 4 -5 1 2 73.22 2.03 1.2928 -2 6 1 2 73.64 1.26 1.2864 -3 -5 6 2 73.65 3.61 1.2862 1 -7 4 2 73.92 1.16 1.2821 -4 -6 3 2 74.08 1.03 1.2797 -4 5 0 2 74.69 1.21 1.2709 2 1 5 2 74.90 2.96 1.2678 -4 -6 2 2 75.01 1.98 1.2662 2 -7 2 2 75.08 1.20 1.2652 2 6 1 2 75.56 2.25 1.2584 3 -1 5 2 75.59 1.60 1.2579 -3 0 6 2 75.62 2.23 1.2575 0 5 3 2 75.80 2.22 1.2550 1 7 0 2 75.82 2.20 1.2546 -1 7 0 2 75.90 3.85 1.2536 -1 4 4 2 76.18 1.02 1.2496 -6 0 1 2 76.24 1.30 1.2488 -5 3 2 2 76.37 1.71 1.2470 -3 -7 4 2 76.56 1.15 1.2445 -5 1 4 2 77.31 1.16 1.2343 2 -2 6 2 77.33 1.62 1.2339 -4 5 1 2 77.62 1.83 1.2300 -2 -4 7 2 77.64 2.08 1.2298 2 -6 5 2 77.64 2.16 1.2297 -2 1 6 2 77.88 1.97 1.2266 6 0 0 2 77.89 1.96 1.2265 -2 4 4 2 77.90 1.05 1.2264 4 0 4 2 78.16 1.45 1.2229 -4 -6 1 2 78.31 2.19 1.2209 2 -4 6 2 78.48 1.37 1.2187 -5 -4 5 2 78.55 1.56 1.2178 -3 -6 6 2 78.85 3.04 1.2139 -4 -6 5 2 78.86 1.85 1.2137 0 -8 3 2 79.24 1.10 1.2089 -6 1 2 2 79.62 1.18 1.2041 1 -6 6 2 79.80 1.66 1.2019 5 -2 3 2 79.95 1.61 1.2000 -2 -5 7 2 80.16 1.71 1.1973 -3 -3 7 2 80.70 1.29 1.1907 5 -4 2 2 81.14 1.04 1.1854 3 4 3 2 81.28 1.25 1.1836 2 2 5 2 81.33 2.16 1.1830 -3 -2 7 2 81.41 2.16 1.1821 0 -5 7 2 81.57 1.32 1.1802 -2 -7 6 2 82.58 1.68 1.1683 -4 2 5 2 82.86 1.20 1.1651 -6 1 3 2 83.02 1.31 1.1633 4 3 3 2 83.23 1.03 1.1608 -1 -8 5 2 83.39 2.50 1.1590 1 3 5 2 83.93 1.45 1.1530 -5 4 2 2 84.22 1.68 1.1497 1 -2 7 2 84.42 2.47 1.1475 -5 -2 6 2 84.69 2.55 1.1445 -6 0 4 2 85.15 1.23 1.1395 -5 1 5 2 85.38 2.17 1.1370 -5 -4 6 2 85.51 1.47 1.1356 4 -2 5 2 86.80 2.91 1.1220 6 2 1 2 87.16 1.26 1.1183 2 7 1 2 87.30 3.48 1.1169 -4 1 6 2 87.55 1.21 1.1143 0 8 0 2 87.65 1.93 1.1133 3 -7 4 2 88.79 1.11 1.1019 2 1 6 2 89.39 1.08 1.0961 -4 4 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.