Heulandite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040021 Wust T, Stolz J, Armbruster T American Mineralogist 84 (1999) 1126-1134 Partially dealuminated heulandite produced by acidic REECl3 solution: A chemical and single-crystal X-ray study Sample: REE293 Tetrahedral sites were refined as Si CELL PARAMETERS: 17.7420 17.8520 7.4293 90.000 116.460 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Si 0.17734 0.32961 0.09170 1.000 1.610 Si 0.28418 0.41088 0.48940 1.000 1.887 Si 0.29145 0.19068 0.28530 1.000 1.633 Si 0.43161 0.29831 0.57860 1.000 1.726 Si 0.00000 0.27710 0.00000 1.000 1.819 Al 0.00000 0.42210 0.00000 0.120 1.700 Al 0.48800 0.00000 0.55600 0.130 3.600 Al 0.20500 0.50000 0.19900 0.080 3.000 Na 0.46800 0.50000 0.77100 0.390 11.000 O 0.29850 0.50000 0.52630 1.000 3.117 O 0.26440 0.12190 0.38410 1.000 3.435 O 0.31310 0.15560 0.11200 1.000 3.414 O 0.22530 0.39650 0.24590 1.000 3.249 O 0.50000 0.32080 0.50000 1.000 3.950 O 0.07850 0.33270 0.04090 1.000 3.041 O 0.37550 0.22950 0.45330 1.000 4.348 O 0.01790 0.22460 0.18940 1.000 3.722 O 0.21500 0.25010 0.18820 1.000 3.121 O 0.37650 0.37110 0.55910 1.000 3.689 Wa 0.36900 0.00000 0.34800 0.510 8.400 Wa 0.39000 0.00000 0.51000 0.280 15.790 Wa 0.40200 0.00000 0.23500 0.390 15.790 Wa 0.39800 0.00000 0.06100 0.170 6.500 Wa 0.43300 0.00000 0.78800 0.470 15.000 Wa 0.56000 0.00000 0.03600 0.470 13.900 Wa 0.49600 0.09100 0.58300 0.370 11.900 Wa 0.47800 0.07200 0.70700 0.270 11.300 Wa 0.39300 0.41100 0.09700 0.390 13.800 Wa 0.43600 0.43000 0.00100 0.470 15.790 Wa 0.51200 0.50000 0.56400 0.550 11.100 Wa 0.40600 0.50000 0.05900 0.140 3.700 Wa 0.21200 0.00000 -0.01400 0.640 9.500 Wa 0.25820 0.00000 0.08900 0.520 3.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 14 +/- 16 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 4.130140272 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.45 4.02 11.8665 1 1 0 9.91 100.00 8.9260 0 2 0 11.14 39.88 7.9417 2 0 0 12.91 10.45 6.8564 -1 1 1 13.01 15.57 6.8057 -2 0 1 13.31 9.98 6.6510 0 0 1 14.93 3.28 5.9332 2 2 0 16.62 3.08 5.3333 0 2 1 16.85 14.35 5.2624 -3 1 1 17.32 26.20 5.1203 1 1 1 17.47 3.15 5.0760 3 1 0 19.11 20.64 4.6437 -1 3 1 19.89 1.10 4.4630 0 4 0 20.31 5.86 4.3734 -4 0 1 21.99 1.85 4.0418 -3 3 1 22.36 67.85 3.9764 1 3 1 22.39 29.38 3.9709 4 0 0 22.48 54.25 3.9555 3 3 0 22.64 32.27 3.9273 -4 2 1 22.86 35.99 3.8907 2 4 0 23.17 7.68 3.8381 2 2 1 23.84 3.04 3.7321 -2 4 1 23.97 9.61 3.7130 -2 0 2 24.01 2.86 3.7060 0 4 1 24.97 20.00 3.5664 -3 1 2 25.29 1.20 3.5212 -1 1 2 25.61 8.04 3.4782 -5 1 1 25.99 36.91 3.4282 -2 2 2 26.19 19.65 3.4029 -4 0 2 26.24 5.63 3.3957 3 1 1 26.81 22.30 3.3255 0 0 2 28.06 35.74 3.1796 -4 2 2 28.54 1.11 3.1276 5 1 0 28.58 19.81 3.1236 -4 4 1 29.04 15.50 3.0750 -1 3 2 29.32 2.98 3.0462 -5 3 1 29.39 7.08 3.0387 -5 1 2 29.82 11.88 2.9959 -3 5 1 29.88 2.97 2.9904 3 3 1 30.03 2.79 2.9753 0 6 0 30.10 36.64 2.9689 1 5 1 30.19 30.44 2.9602 3 5 0 30.23 11.72 2.9566 1 1 2 30.27 7.90 2.9528 -6 0 1 30.95 2.53 2.8895 4 0 1 31.34 2.41 2.8543 -2 4 2 31.92 10.41 2.8034 -6 2 1 31.94 30.50 2.8024 5 3 0 32.52 1.46 2.7535 -6 0 2 32.57 1.17 2.7491 4 2 1 32.85 13.34 2.7262 -2 6 1 32.98 7.70 2.7160 0 6 1 33.47 5.06 2.6774 1 3 2 33.53 1.07 2.6724 2 0 2 35.05 5.18 2.5601 2 2 2 35.21 1.17 2.5488 -3 5 2 35.37 2.26 2.5380 6 2 0 35.45 4.73 2.5322 -1 5 2 35.66 1.72 2.5180 1 7 0 35.69 2.92 2.5160 -5 5 1 36.03 1.14 2.4928 -7 1 1 36.16 2.68 2.4843 3 5 1 36.49 1.44 2.4626 -6 4 1 36.73 1.96 2.4469 5 1 1 36.87 6.84 2.4376 2 6 1 36.92 4.80 2.4347 -2 0 3 37.03 3.97 2.4276 -7 1 2 37.06 5.92 2.4255 4 4 1 37.78 3.57 2.3811 4 6 0 40.70 1.14 2.2170 0 0 3 41.05 2.05 2.1987 -6 2 3 41.41 3.09 2.1804 -1 3 3 42.64 2.42 2.1202 7 3 0 43.16 3.06 2.0959 -6 6 1 43.24 4.41 2.0921 6 2 1 43.32 1.58 2.0886 -3 7 2 43.67 2.23 2.0729 4 6 1 43.97 1.84 2.0591 1 1 3 44.12 2.51 2.0527 3 7 1 44.60 1.13 2.0314 5 5 1 44.82 3.35 2.0223 -6 4 3 44.86 3.23 2.0203 -7 5 2 46.20 2.81 1.9649 -8 4 1 46.35 3.77 1.9591 -1 5 3 46.56 3.88 1.9507 -9 1 2 46.87 1.95 1.9385 6 4 1 46.97 1.14 1.9344 -8 2 3 48.06 1.14 1.8931 7 1 1 48.38 1.92 1.8815 2 2 3 48.87 1.10 1.8637 -9 3 2 49.04 1.42 1.8575 3 9 0 49.53 1.92 1.8405 -5 1 4 49.86 1.02 1.8289 -7 5 3 49.89 3.27 1.8279 -3 1 4 50.13 1.02 1.8199 -6 0 4 50.97 1.74 1.7916 -7 7 1 51.17 2.90 1.7852 0 10 0 51.23 1.27 1.7832 -6 2 4 51.40 1.11 1.7778 0 6 3 51.45 1.12 1.7762 -3 7 3 51.74 4.82 1.7669 -7 7 2 51.76 3.47 1.7661 4 8 1 52.09 3.47 1.7558 -3 3 4 52.54 2.45 1.7417 -3 9 2 52.55 2.00 1.7414 -5 7 3 53.12 3.81 1.7242 0 10 1 53.23 2.31 1.7207 3 9 1 53.70 1.70 1.7068 3 3 3 53.89 1.30 1.7014 -8 0 4 53.95 1.10 1.6996 -9 5 1 54.00 3.18 1.6982 -10 0 3 54.10 2.51 1.6952 7 7 0 54.94 2.81 1.6713 -8 2 4 55.65 3.05 1.6515 8 6 0 56.52 1.28 1.6282 4 10 0 56.98 4.66 1.6161 2 6 3 57.84 3.06 1.5942 3 5 3 57.88 1.20 1.5932 8 4 1 57.97 1.65 1.5909 -6 8 3 58.07 1.67 1.5883 10 0 0 58.83 1.34 1.5696 7 1 2 59.13 1.15 1.5625 -8 8 1 59.69 1.31 1.5491 6 8 1 61.01 1.15 1.5187 4 10 1 62.63 2.41 1.4833 8 8 0 62.80 1.62 1.4797 8 6 1 63.64 1.11 1.4622 2 12 0 63.72 1.09 1.4605 3 7 3 63.87 1.22 1.4575 2 8 3 63.91 2.61 1.4566 -12 2 2 64.80 1.89 1.4387 -11 5 3 64.93 2.08 1.4362 -5 11 2 65.09 1.96 1.4331 1 9 3 65.82 2.26 1.4190 -2 0 5 65.92 1.32 1.4170 9 5 1 65.95 1.72 1.4165 -11 3 4 66.37 1.65 1.4084 -4 12 1 67.74 1.50 1.3833 -8 10 1 68.41 1.67 1.3713 -5 5 5 69.20 1.90 1.3576 -7 5 5 69.47 1.56 1.3531 -7 11 2 69.94 1.28 1.3451 -3 5 5 70.21 1.28 1.3405 7 7 2 72.75 1.31 1.2998 2 12 2 74.03 1.13 1.2806 -5 13 1 74.57 1.12 1.2726 -4 12 3 74.98 1.03 1.2667 11 3 1 75.02 1.55 1.2661 -2 10 4 76.11 2.21 1.2507 -9 11 2 76.28 1.12 1.2483 9 5 2 77.34 1.17 1.2338 7 9 2 77.53 1.03 1.2313 -12 8 2 77.99 1.10 1.2252 -14 0 4 78.49 1.05 1.2186 11 5 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.