Cs9Al9Si27O72*13H2O Yang P, Armbruster T Journal of Solid State Chemistry 123 (1996) 140-149 Na, K, Rb and Cs exchange in heulandite single-crystals: X-ray structure refinements at 100 K Sample: T = 100 K Locality: Nasik, India _database_code_amcsd 0013887 CELL PARAMETERS: 17.7600 18.0950 7.4280 89.910 115.930 90.180 SPACE GROUP: C-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 2146.792 Density (g/cm3): 2.731 MAX. ABS. INTENSITY / VOLUME**2: 4.473455429 RIR: 0.533 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.78 8.36 9.0475 0 2 0 2 11.08 33.26 7.9860 2 0 0 2 12.88 8.10 6.8739 -1 1 1 2 12.89 7.36 6.8666 -1 -1 1 2 13.04 1.61 6.7891 -2 0 1 2 14.78 3.57 5.9954 -2 2 0 2 14.82 3.05 5.9791 2 2 0 2 15.72 1.76 5.6376 1 3 0 2 16.30 8.71 5.4369 -2 2 1 2 16.34 10.47 5.4237 -2 -2 1 2 16.49 1.09 5.3746 0 2 1 2 16.84 13.65 5.2637 -3 1 1 2 16.87 9.50 5.2549 -3 -1 1 2 17.19 18.96 5.1596 1 -1 1 2 17.19 21.27 5.1575 1 1 1 2 18.94 1.60 4.6854 -1 3 1 2 18.97 1.99 4.6785 -1 -3 1 2 19.62 34.15 4.5237 0 4 0 2 20.32 15.64 4.3709 -4 0 1 2 20.73 42.58 4.2843 2 0 1 2 21.84 39.43 4.0688 -3 3 1 2 21.91 36.69 4.0566 -3 -3 1 2 22.13 15.30 4.0172 1 -3 1 2 22.14 12.57 4.0142 1 3 1 2 22.24 29.39 3.9969 -3 3 0 2 22.26 100.00 3.9930 4 0 0 2 22.30 34.15 3.9861 3 3 0 2 22.56 6.91 3.9407 -2 4 0 2 22.56 2.94 3.9406 -4 2 1 2 22.62 7.99 3.9315 2 4 0 2 22.62 2.85 3.9309 -4 -2 1 2 22.96 13.75 3.8741 2 -2 1 2 22.98 11.76 3.8701 2 2 1 2 23.61 10.41 3.7690 -2 4 1 2 23.66 11.95 3.7602 -2 -4 1 2 23.75 7.64 3.7461 0 4 1 2 23.76 6.73 3.7453 0 -4 1 2 23.97 3.99 3.7132 -2 0 2 2 24.34 15.07 3.6567 -4 2 0 2 24.39 13.76 3.6494 4 2 0 2 24.98 12.66 3.5640 -3 1 2 2 25.00 13.43 3.5611 -3 -1 2 2 25.22 11.78 3.5313 -1 1 2 2 25.23 12.65 3.5302 -1 -1 2 2 25.57 4.92 3.4841 -5 1 1 2 25.60 5.10 3.4799 -5 -1 1 2 25.92 30.88 3.4369 -2 2 2 2 25.95 30.25 3.4333 -2 -2 2 2 26.02 4.19 3.4244 3 -1 1 2 26.04 3.82 3.4222 3 1 1 2 26.25 1.82 3.3946 -4 0 2 2 26.69 43.57 3.3401 0 0 2 2 27.40 4.25 3.2552 -1 5 1 2 27.43 4.36 3.2513 -1 -5 1 2 28.05 45.08 3.1809 -4 2 2 2 28.10 41.25 3.1756 -4 -2 2 2 28.35 27.29 3.1483 -4 4 1 2 28.36 1.67 3.1472 -5 1 0 2 28.38 1.81 3.1443 5 1 0 2 28.44 26.11 3.1384 -4 -4 1 2 28.48 5.99 3.1336 0 2 2 2 28.49 6.27 3.1332 0 -2 2 2 28.68 17.71 3.1127 2 -4 1 2 28.72 19.13 3.1086 2 4 1 2 28.87 42.23 3.0924 -1 3 2 2 28.89 43.06 3.0901 -1 -3 2 2 29.16 1.70 3.0626 -5 3 1 2 29.24 2.99 3.0541 -5 -3 1 2 29.44 9.09 3.0342 -5 1 2 2 29.47 9.17 3.0314 -5 -1 2 2 29.51 42.71 3.0268 -3 5 1 2 29.57 1.59 3.0205 3 -3 1 2 29.59 39.87 3.0185 -3 -5 1 2 29.62 1.23 3.0162 3 3 1 2 29.62 23.41 3.0158 0 6 0 2 29.74 31.73 3.0042 1 -5 1 2 29.76 36.76 3.0021 1 5 1 2 29.80 8.87 2.9977 -4 4 0 2 29.81 11.84 2.9968 -3 5 0 2 29.89 9.94 2.9896 4 4 0 2 29.89 11.23 2.9892 3 5 0 2 30.04 10.67 2.9749 1 -1 2 2 30.04 11.32 2.9746 1 1 2 2 30.70 2.77 2.9122 4 0 1 2 31.66 39.69 2.8261 -5 3 0 2 31.73 34.67 2.8198 5 3 0 2 31.81 13.65 2.8135 -6 2 1 2 31.87 15.26 2.8083 -6 -2 1 2 32.45 14.02 2.7587 -2 6 1 2 32.52 15.19 2.7535 -2 -6 1 2 32.57 9.67 2.7489 0 6 1 2 32.58 8.54 2.7485 0 -6 1 2 32.58 5.89 2.7483 -6 0 2 2 32.64 7.55 2.7436 -5 3 2 2 32.72 6.54 2.7373 -5 -3 2 2 32.95 3.17 2.7185 -4 4 2 2 33.03 3.47 2.7118 -4 -4 2 2 33.67 2.63 2.6620 6 0 0 2 34.77 7.64 2.5798 2 -2 2 2 34.79 8.17 2.5787 2 2 2 2 35.11 4.95 2.5556 -6 2 0 2 35.15 1.83 2.5533 -1 5 2 2 35.17 5.67 2.5519 6 2 0 2 35.18 1.95 2.5512 -1 -5 2 2 35.73 2.03 2.5129 3 -5 1 2 35.79 2.18 2.5087 3 5 1 2 35.93 3.53 2.4998 -7 1 1 2 35.96 2.86 2.4977 -7 -1 1 2 36.13 4.68 2.4859 -4 6 1 2 36.24 5.73 2.4787 -4 -6 1 2 36.41 24.71 2.4676 2 -6 1 2 36.46 19.88 2.4646 2 6 1 2 36.63 3.17 2.4531 -3 1 3 2 36.65 3.73 2.4521 -3 -1 3 2 36.67 5.20 2.4508 4 -4 1 2 36.73 4.80 2.4465 4 4 1 2 36.80 1.54 2.4425 -1 7 1 2 36.83 1.91 2.4402 -1 -7 1 2 37.05 11.73 2.4262 -7 1 2 2 37.08 13.64 2.4243 -7 -1 2 2 37.50 3.25 2.3981 -5 5 0 2 37.61 3.26 2.3917 5 5 0 2 37.97 2.41 2.3697 -4 2 3 2 38.01 3.39 2.3674 -4 -2 3 2 38.22 3.71 2.3551 -2 2 3 2 38.24 4.68 2.3538 -2 -2 3 2 38.35 3.71 2.3472 -5 5 2 2 38.44 3.77 2.3419 -3 7 1 2 38.46 3.72 2.3406 -5 -5 2 2 38.53 4.20 2.3365 -3 -7 1 2 38.62 1.24 2.3310 -1 1 3 2 38.63 1.40 2.3308 1 -7 1 2 38.63 1.22 2.3307 -1 -1 3 2 38.64 6.78 2.3301 -7 3 1 2 38.65 1.84 2.3295 1 7 1 2 38.73 7.86 2.3249 -7 -3 1 2 38.93 3.00 2.3134 2 -4 2 2 38.96 3.23 2.3119 2 4 2 2 39.32 3.19 2.2913 -3 3 3 2 39.37 2.88 2.2889 -3 -3 3 2 39.79 1.30 2.2653 -7 -3 2 2 39.83 3.31 2.2630 -6 0 3 2 39.86 8.70 2.2619 0 8 0 2 39.94 3.65 2.2574 -4 6 2 2 40.04 2.55 2.2517 -4 -6 2 2 40.29 1.17 2.2386 0 6 2 2 40.30 1.26 2.2382 0 -6 2 2 40.74 1.45 2.2146 -5 3 3 2 40.81 1.79 2.2111 -5 -3 3 2 41.09 2.68 2.1967 -6 2 3 2 41.14 1.53 2.1942 -8 0 1 2 41.14 3.98 2.1941 -6 -2 3 2 41.21 2.77 2.1905 -1 3 3 2 41.23 2.96 2.1896 -1 -3 3 2 41.31 1.85 2.1855 -8 0 2 2 41.65 2.20 2.1683 6 0 1 2 42.08 3.81 2.1474 -2 4 3 2 42.12 4.00 2.1455 -2 -4 3 2 42.19 7.84 2.1421 4 0 2 2 42.52 1.21 2.1259 -8 2 2 2 42.59 1.39 2.1229 -8 -2 2 2 42.76 2.38 2.1148 -6 6 1 2 42.85 3.59 2.1103 -7 1 3 2 42.87 9.85 2.1096 6 -2 1 2 42.88 4.08 2.1090 -7 -1 3 2 42.90 1.86 2.1082 -6 -6 1 2 42.91 10.73 2.1075 6 2 1 2 42.98 1.00 2.1043 -3 -7 2 2 43.06 3.95 2.1006 -1 7 2 2 43.10 4.29 2.0989 -1 -7 2 2 43.40 3.64 2.0851 4 -2 2 2 43.42 2.89 2.0839 4 2 2 2 43.67 2.64 2.0726 -7 5 1 2 43.72 4.48 2.0706 1 -1 3 2 43.72 4.52 2.0706 1 1 3 2 43.81 2.59 2.0666 -7 -5 1 2 44.20 1.09 2.0490 5 5 1 2 44.63 4.38 2.0302 -7 5 2 2 44.73 1.26 2.0260 -6 4 3 2 44.77 4.19 2.0244 -7 -5 2 2 45.06 2.80 2.0122 -5 7 0 2 45.14 1.13 2.0086 2 -6 2 2 45.18 1.17 2.0071 2 6 2 2 45.18 2.19 2.0068 5 7 0 2 45.19 1.05 2.0063 -4 -8 1 2 45.22 1.25 2.0053 -7 3 3 2 45.31 3.03 2.0013 2 -8 1 2 45.36 2.16 1.9992 3 -5 2 2 45.37 3.22 1.9991 2 8 1 2 45.41 2.72 1.9972 3 5 2 2 45.59 1.17 1.9899 -5 5 3 2 45.69 1.30 1.9857 -5 -5 3 2 45.78 2.77 1.9818 -5 7 2 2 45.91 1.77 1.9766 -8 4 1 2 45.92 2.76 1.9763 -5 -7 2 2 46.03 1.88 1.9718 -8 -4 1 2 46.06 1.27 1.9706 -1 -5 3 2 46.07 2.95 1.9704 -4 8 0 2 46.07 3.39 1.9703 -8 4 2 2 46.07 1.19 1.9701 1 -3 3 2 46.08 1.50 1.9699 1 3 3 2 46.18 3.23 1.9657 4 8 0 2 46.19 3.73 1.9654 -8 -4 2 2 46.40 5.10 1.9569 6 -4 1 2 46.48 5.30 1.9536 6 4 1 2 46.53 4.55 1.9518 -9 1 2 2 46.56 4.62 1.9505 -9 -1 2 2 46.91 1.93 1.9370 4 -4 2 2 46.91 1.81 1.9370 2 0 3 2 46.96 1.54 1.9350 4 4 2 2 47.01 1.32 1.9330 -2 8 2 2 47.08 1.84 1.9304 -2 -8 2 2 48.14 3.01 1.8900 -3 9 1 2 48.24 2.59 1.8864 -3 -9 1 2 48.29 2.88 1.8845 -4 8 2 2 48.35 1.32 1.8826 -3 9 0 2 48.42 2.78 1.8801 -4 -8 2 2 48.44 1.51 1.8792 3 9 0 2 49.07 1.39 1.8566 -4 0 4 2 49.56 4.87 1.8394 -5 1 4 2 49.58 4.70 1.8387 -5 -1 4 2 49.71 3.49 1.8341 -7 5 3 2 49.81 4.84 1.8305 -3 1 4 2 49.83 5.13 1.8301 -3 -1 4 2 49.84 3.20 1.8297 -7 -5 3 2 50.43 13.01 1.8095 0 10 0 2 50.47 4.97 1.8083 -7 7 1 2 50.53 1.48 1.8063 1 -5 3 2 50.54 1.24 1.8060 1 5 3 2 50.64 6.05 1.8027 -7 -7 1 2 50.97 1.07 1.7915 0 6 3 2 51.05 3.39 1.7892 -3 7 3 2 51.08 1.76 1.7880 4 -8 1 2 51.13 3.18 1.7865 -3 -7 3 2 51.18 1.92 1.7847 4 8 1 2 51.27 1.29 1.7820 -6 2 4 2 51.31 1.02 1.7806 -6 -2 4 2 51.50 1.05 1.7745 -7 -7 2 2 51.51 3.90 1.7742 -10 0 2 2 51.57 1.08 1.7723 -8 6 2 2 51.69 1.16 1.7684 -5 3 4 2 51.73 1.12 1.7670 -8 -6 2 2 51.75 2.39 1.7667 -9 1 0 2 51.77 2.38 1.7657 9 1 0 2 51.93 2.33 1.7608 -3 9 2 2 52.00 1.05 1.7584 3 -7 2 2 52.03 1.46 1.7576 -3 -9 2 2 52.12 1.10 1.7547 -1 -9 2 2 52.20 3.49 1.7524 -5 7 3 2 52.33 3.53 1.7484 -5 -7 3 2 52.36 1.83 1.7475 4 -6 2 2 52.43 1.53 1.7453 4 6 2 2 52.60 1.02 1.7400 -10 -2 2 2 52.61 1.35 1.7396 -1 7 3 2 52.65 1.01 1.7385 -1 -7 3 2 52.78 1.33 1.7344 -10 0 1 2 52.86 1.15 1.7321 2 -8 2 2 52.90 1.20 1.7308 2 8 2 2 53.01 1.77 1.7275 -9 5 2 2 53.16 1.30 1.7230 -9 -5 2 2 53.49 1.93 1.7130 -7 7 0 2 53.56 1.03 1.7109 -9 5 1 2 53.65 2.09 1.7083 7 7 0 2 53.71 1.19 1.7065 -9 -5 1 2 53.79 2.03 1.7043 -10 2 1 2 53.81 2.78 1.7038 -9 3 0 2 53.81 1.63 1.7037 -5 9 0 2 53.85 2.09 1.7024 -10 -2 1 2 53.89 2.68 1.7012 9 3 0 2 53.95 1.24 1.6995 5 9 0 2 54.08 1.79 1.6957 -10 0 3 2 54.86 1.41 1.6735 -1 3 4 2 54.88 1.28 1.6730 -1 -3 4 2 54.98 2.22 1.6701 0 0 4 2 55.02 2.80 1.6690 -8 2 4 2 55.07 1.07 1.6677 2 -10 1 2 55.08 2.42 1.6674 -8 -2 4 2 55.37 2.18 1.6592 -2 8 3 2 55.44 2.14 1.6574 -2 -8 3 2 55.71 1.00 1.6499 -10 -4 2 2 55.71 4.22 1.6498 -4 10 0 2 55.84 5.05 1.6465 4 10 0 2 55.95 1.85 1.6434 -7 7 3 2 55.99 1.09 1.6422 0 -2 4 2 56.05 1.88 1.6408 -3 5 4 2 56.11 2.40 1.6392 -3 -5 4 2 56.12 1.40 1.6389 -7 -7 3 2 56.45 5.35 1.6301 2 -6 3 2 56.47 4.83 1.6294 2 6 3 2 56.73 1.05 1.6227 1 -7 3 2 57.06 2.32 1.6141 -9 1 4 2 57.09 2.24 1.6133 -9 -1 4 2 57.30 2.60 1.6078 3 -5 3 2 57.33 2.11 1.6072 8 -4 1 2 57.34 2.35 1.6068 3 5 3 2 57.42 1.82 1.6048 8 4 1 2 57.54 1.83 1.6018 -6 8 3 2 57.70 2.01 1.5978 -6 -8 3 2 57.72 1.46 1.5972 10 0 0 2 57.96 1.16 1.5912 0 10 2 2 57.97 1.15 1.5909 0 -10 2 2 58.31 1.12 1.5823 7 -1 2 2 58.33 1.16 1.5818 7 1 2 2 58.52 1.10 1.5773 -8 8 1 2 58.94 3.56 1.5669 6 -8 1 2 58.96 1.04 1.5666 0 -4 4 2 58.99 2.22 1.5657 -9 3 4 2 59.08 2.38 1.5636 -9 -3 4 2 59.08 3.73 1.5636 6 8 1 2 59.40 1.71 1.5559 -7 9 2 2 59.60 1.30 1.5512 -7 -9 2 2 60.16 1.07 1.5381 -10 0 4 2 60.39 1.60 1.5329 5 -1 3 2 60.40 1.50 1.5326 5 1 3 2 60.59 1.51 1.5283 -1 9 3 2 61.49 4.30 1.5079 0 12 0 2 61.61 1.31 1.5055 -10 6 1 2 61.63 2.50 1.5050 -5 7 4 2 61.74 2.85 1.5024 -5 -7 4 2 61.78 1.36 1.5015 -10 -6 1 2 61.91 2.92 1.4988 -8 8 0 2 62.01 1.44 1.4967 -1 11 2 2 62.05 1.65 1.4957 -1 -11 2 2 62.09 2.70 1.4948 8 8 0 2 62.67 1.03 1.4825 -2 12 0 2 63.21 1.27 1.4710 0 12 1 2 63.50 2.58 1.4649 -9 7 0 2 63.64 1.32 1.4622 -7 9 3 2 63.69 2.73 1.4612 9 7 0 2 63.75 1.18 1.4600 -12 2 2 2 63.83 1.08 1.4582 -7 -9 3 2 63.94 1.43 1.4561 8 0 2 2 63.99 1.29 1.4551 4 -6 3 2 64.04 1.22 1.4539 4 6 3 2 64.12 2.32 1.4523 -5 11 2 2 64.29 2.54 1.4489 -5 -11 2 2 64.38 3.25 1.4471 1 -9 3 2 64.39 2.65 1.4469 1 9 3 2 64.62 4.42 1.4422 -11 5 3 2 64.71 1.45 1.4406 -11 5 1 2 64.79 4.50 1.4390 -11 -5 3 2 64.87 1.27 1.4374 -11 -5 1 2 65.34 1.19 1.4281 6 0 3 2 65.61 1.57 1.4230 2 -12 1 2 65.61 2.03 1.4229 -2 0 5 2 65.67 1.12 1.4218 2 12 1 2 65.99 1.36 1.4156 -11 3 4 2 66.09 1.08 1.4137 -11 -3 4 2 66.68 1.36 1.4027 10 -2 1 2 66.73 1.51 1.4017 10 2 1 2 67.74 2.36 1.3832 4 -10 2 2 67.84 2.11 1.3814 4 10 2 2 68.22 1.96 1.3748 -5 5 5 2 68.25 1.03 1.3742 0 -12 2 2 68.30 1.70 1.3733 -5 -5 5 2 68.42 1.00 1.3711 -9 -7 4 2 68.65 2.28 1.3672 -7 11 2 2 68.87 2.50 1.3633 -7 -11 2 2 69.09 3.00 1.3595 -7 5 5 2 69.18 1.10 1.3579 -13 -1 2 2 69.20 2.92 1.3577 -7 -5 5 2 69.64 2.35 1.3502 -3 5 5 2 69.69 2.11 1.3493 -3 -5 5 2 69.92 1.22 1.3455 4 0 4 2 71.73 1.48 1.3159 2 -12 2 2 71.78 1.63 1.3150 2 12 2 2 73.28 1.48 1.2917 -1 5 5 2 73.31 1.25 1.2914 6 -6 3 2 73.31 1.76 1.2913 -1 -5 5 2 73.40 1.28 1.2900 6 6 3 2 73.67 1.16 1.2859 -4 12 3 2 74.25 1.80 1.2773 -5 13 0 2 74.42 1.48 1.2748 5 13 0 2 74.94 1.12 1.2672 -3 -7 5 2 75.26 2.87 1.2627 -9 11 2 2 75.53 2.40 1.2588 -9 -11 2 2 76.92 1.04 1.2395 -11 9 3 2 76.94 1.49 1.2392 6 -12 1 2 77.12 1.45 1.2367 6 12 1 2 77.20 1.09 1.2357 -11 -9 3 2 77.62 1.04 1.2300 -5 11 4 2 77.69 1.14 1.2291 -5 -1 6 2 77.71 1.80 1.2289 11 -5 1 2 77.85 1.96 1.2270 11 5 1 2 78.10 3.30 1.2237 -14 0 4 2 78.84 1.18 1.2141 -3 13 3 2 78.96 1.17 1.2125 -3 -13 3 2 80.81 1.62 1.1894 -10 0 6 2 81.67 1.05 1.1790 -3 15 1 2 82.13 1.27 1.1736 -10 10 4 2 83.50 1.01 1.1578 3 3 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.