H20 N4 Na2 O20 P6 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 1007193 _database_code_amcsd 0010250 CELL PARAMETERS: 13.3630 11.5800 6.8090 90.000 101.870 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 1031.118 Density (g/cm3): 2.022 MAX. ABS. INTENSITY / VOLUME**2: 4.554078772 RIR: 0.733 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.20 100.00 8.6695 1 1 0 4 15.30 14.19 5.7900 0 2 0 2 15.34 22.08 5.7755 0 1 1 4 15.56 21.30 5.6937 2 1 0 4 15.63 61.82 5.6699 -1 1 1 4 16.12 62.31 5.4973 1 0 1 2 16.75 2.09 5.2943 1 2 0 4 17.86 69.70 4.9661 1 1 1 4 18.60 12.26 4.7713 -2 1 1 4 20.32 10.74 4.3706 0 2 1 4 20.49 17.29 4.3348 2 2 0 4 20.54 2.20 4.3243 -1 2 1 4 21.79 51.96 4.0796 3 1 0 4 21.95 27.37 4.0493 -3 0 1 2 22.28 7.64 3.9901 2 1 1 4 22.30 3.35 3.9866 1 2 1 4 22.90 9.66 3.8837 -2 2 1 4 24.04 9.45 3.7021 1 3 0 4 25.58 2.39 3.4825 3 2 0 4 26.01 13.23 3.4263 2 2 1 4 26.69 1.69 3.3401 0 3 1 4 26.76 7.85 3.3317 0 0 2 2 26.82 5.50 3.3240 2 3 0 4 26.86 4.75 3.3193 -1 3 1 4 27.28 4.26 3.2693 4 0 0 2 27.43 15.48 3.2514 -2 0 2 2 27.75 24.02 3.2146 3 1 1 4 27.86 10.51 3.2018 0 1 2 4 28.25 14.76 3.1590 1 3 1 4 28.37 4.88 3.1463 4 1 0 4 28.51 37.36 3.1303 -2 1 2 4 28.73 32.17 3.1071 -2 3 1 4 30.02 2.46 2.9770 1 1 2 4 30.86 1.24 2.8971 3 2 1 4 30.89 6.58 2.8950 0 4 0 2 30.94 3.03 2.8898 3 3 0 4 30.97 15.56 2.8877 0 2 2 4 31.22 3.44 2.8648 -3 1 2 4 31.30 21.04 2.8575 2 3 1 4 31.42 23.00 2.8468 4 2 0 4 31.56 2.56 2.8350 -2 2 2 4 31.65 23.15 2.8266 1 4 0 4 32.03 27.59 2.7940 -3 3 1 4 32.93 2.80 2.7196 1 2 2 4 33.51 7.17 2.6743 2 1 2 4 33.76 7.83 2.6552 0 4 1 4 33.83 3.90 2.6498 4 1 1 4 33.86 3.98 2.6471 2 4 0 4 33.89 5.68 2.6447 -1 4 1 4 34.05 27.82 2.6332 -3 2 2 4 34.15 5.42 2.6252 -5 0 1 2 35.03 7.46 2.5615 1 4 1 4 35.05 9.38 2.5602 -5 1 1 4 35.14 7.22 2.5537 -4 1 2 4 35.17 3.22 2.5515 -1 3 2 4 35.18 8.35 2.5512 5 1 0 4 35.43 2.97 2.5336 -2 4 1 4 35.51 2.35 2.5284 3 3 1 4 36.00 4.30 2.4947 4 3 0 4 36.18 4.82 2.4831 2 2 2 4 36.42 7.31 2.4670 -4 3 1 4 36.47 4.65 2.4634 4 2 1 4 37.35 4.40 2.4078 1 3 2 4 37.59 4.19 2.3927 2 4 1 4 37.71 3.91 2.3856 -4 2 2 4 37.74 1.31 2.3836 5 2 0 4 38.22 3.65 2.3550 -3 4 1 4 40.28 3.49 2.2390 2 3 2 4 40.31 1.09 2.2374 5 1 1 4 40.55 2.54 2.2245 4 3 1 4 41.38 1.90 2.1818 -1 5 1 4 41.39 3.02 2.1814 0 1 3 4 41.43 1.02 2.1795 6 0 0 2 41.67 6.90 2.1676 -3 0 3 2 41.67 1.40 2.1674 4 4 0 4 42.04 1.37 2.1491 -4 4 1 4 42.19 2.36 2.1419 6 1 0 4 42.28 2.87 2.1374 -5 2 2 4 42.61 1.55 2.1217 5 2 1 4 43.65 2.15 2.0738 0 2 3 4 43.76 4.24 2.0685 -3 4 2 4 43.84 4.30 2.0649 -6 2 1 4 44.20 7.20 2.0491 3 3 2 4 44.55 6.44 2.0337 2 5 1 4 44.64 2.53 2.0300 -3 2 3 4 45.10 1.48 2.0104 -3 5 1 4 45.46 2.32 1.9950 4 2 2 4 46.81 1.32 1.9407 5 4 0 4 47.21 2.99 1.9252 0 3 3 4 47.50 4.37 1.9142 -1 5 2 4 47.93 1.15 1.8979 6 3 0 4 47.97 2.17 1.8964 -5 0 3 2 48.15 2.91 1.8898 4 5 0 4 49.09 1.14 1.8558 3 4 2 4 49.14 3.59 1.8539 5 1 2 4 49.22 3.71 1.8510 2 6 0 4 49.76 3.46 1.8324 3 0 3 2 50.47 1.04 1.8083 -7 2 1 4 50.93 10.28 1.7930 -6 3 2 4 50.98 1.04 1.7913 5 4 1 4 51.16 1.52 1.7854 -1 4 3 4 51.46 2.30 1.7759 -2 4 3 4 51.83 4.15 1.7639 4 5 1 4 52.37 5.78 1.7470 3 2 3 4 52.44 4.00 1.7448 6 3 1 4 52.76 1.14 1.7351 -3 4 3 4 52.80 1.72 1.7339 5 5 0 4 53.06 2.09 1.7260 -6 1 3 4 53.60 1.66 1.7097 7 0 1 2 53.86 3.59 1.7021 -5 3 3 4 53.93 2.06 1.7001 -2 0 4 2 54.23 1.57 1.6914 7 1 1 4 54.87 1.45 1.6731 6 0 2 2 54.94 1.46 1.6712 -6 2 3 4 55.01 2.98 1.6692 -4 4 3 4 55.27 5.12 1.6620 4 6 0 4 55.36 2.95 1.6596 -2 6 2 4 55.57 2.81 1.6537 -4 6 1 4 56.25 2.80 1.6355 1 6 2 4 56.41 1.45 1.6312 -2 2 4 4 56.65 2.56 1.6249 5 5 1 4 56.81 1.46 1.6205 -1 5 3 4 57.22 1.08 1.6099 -4 1 4 4 57.46 2.39 1.6037 -8 2 1 4 58.15 2.05 1.5863 -5 4 3 4 59.51 1.45 1.5534 -1 3 4 4 59.94 2.96 1.5432 -7 2 3 4 59.95 2.68 1.5430 4 3 3 4 60.45 3.44 1.5314 -3 7 1 4 60.51 4.12 1.5301 5 1 3 4 61.66 1.03 1.5042 -5 2 4 4 62.64 1.72 1.4830 3 7 1 4 62.70 1.94 1.4817 0 7 2 4 63.05 1.32 1.4744 -2 7 2 4 63.16 1.42 1.4722 7 4 1 4 63.23 2.76 1.4705 -7 5 1 4 63.43 1.33 1.4664 -6 1 4 4 63.55 1.16 1.4639 -1 4 4 4 63.89 1.21 1.4570 -8 1 3 4 64.24 2.07 1.4500 -3 4 4 4 64.44 1.03 1.4459 -8 4 1 4 66.39 1.89 1.4080 1 4 4 4 66.67 2.57 1.4029 -8 4 2 4 67.76 1.07 1.3829 2 6 3 4 68.17 1.57 1.3755 7 5 1 4 68.34 1.44 1.3726 -8 3 3 4 69.07 1.98 1.3598 2 4 4 4 69.28 1.67 1.3562 6 5 2 4 69.34 1.41 1.3552 -7 6 1 4 69.51 1.11 1.3524 0 5 4 4 69.55 2.68 1.3517 8 1 2 4 69.66 1.52 1.3498 -9 0 3 2 69.94 1.41 1.3450 -1 1 5 4 70.02 1.06 1.3437 8 4 1 4 70.20 1.29 1.3407 -9 1 3 4 70.51 1.80 1.3355 8 5 0 4 71.25 1.15 1.3236 4 8 0 4 71.66 1.80 1.3170 -7 5 3 4 72.39 2.43 1.3054 4 7 2 4 72.47 1.20 1.3042 -10 1 2 4 72.49 2.59 1.3040 1 7 3 4 73.93 1.55 1.2820 5 1 4 4 74.00 1.96 1.2810 -6 7 2 4 74.18 1.00 1.2783 -3 3 5 4 76.40 1.00 1.2466 -5 7 3 4 77.53 1.15 1.2313 1 3 5 4 78.22 1.09 1.2221 5 8 1 4 78.36 1.05 1.2203 -9 1 4 4 79.64 1.12 1.2039 2 6 4 4 81.31 1.05 1.1833 -7 2 5 4 81.71 1.06 1.1785 8 2 3 4 82.49 2.11 1.1694 -3 5 5 4 83.99 1.28 1.1522 -7 8 1 4 87.99 1.04 1.1099 11 2 1 4 89.48 1.02 1.0952 9 2 3 4 89.95 1.19 1.0907 0 2 6 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.