Walstromite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070634 Dent Glasser L S, Glasser F P American Mineralogist 53 (1968) 9-13 The crystal structure of walstromite CELL PARAMETERS: 6.7510 9.6300 6.6970 69.610 102.230 96.920 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Ca 0.27200 0.50700 0.76300 1.000 1.300 Ca 0.43500 0.83100 0.93500 1.000 1.300 Ba 0.04900 0.84800 0.32300 1.000 1.500 Si 0.09600 0.22200 0.14500 1.000 0.500 Si 0.23500 0.48400 0.28400 1.000 0.500 Si 0.44200 0.19600 0.51100 1.000 0.500 O 0.23600 0.25100 -0.02700 1.000 1.000 O -0.09800 0.11400 0.10200 1.000 1.000 O 0.04200 0.36600 0.21200 1.000 1.000 O 0.36600 0.55600 0.08900 1.000 1.000 O 0.12500 0.58000 0.38900 1.000 1.000 O 0.35200 0.36500 0.49400 1.000 1.000 O 0.61300 0.23800 0.36800 1.000 1.000 O 0.51700 0.08400 0.76500 1.000 1.000 O 0.23800 0.13000 0.38900 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 8 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 13.56067229 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.81 8.13 9.0149 0 1 0 13.44 41.14 6.5892 1 0 0 14.35 9.73 6.1719 0 0 1 14.44 3.40 6.1321 0 1 1 16.25 7.95 5.4537 -1 1 0 17.07 9.34 5.1951 1 1 0 17.50 20.46 5.0681 -1 1 1 19.70 9.54 4.5074 0 2 0 19.96 5.45 4.4491 0 -1 1 20.16 31.15 4.4046 0 2 1 21.45 17.41 4.1430 1 0 1 21.83 1.98 4.0717 1 1 1 22.16 7.62 4.0106 -1 2 1 22.90 11.59 3.8840 -1 -1 1 23.34 8.24 3.8119 -1 2 0 25.32 21.61 3.5177 1 -1 1 26.28 16.10 3.3906 1 2 1 27.06 14.82 3.2946 2 0 0 27.25 14.93 3.2723 0 1 2 27.75 24.32 3.2150 -1 1 2 27.83 38.49 3.2053 -2 1 1 28.13 10.52 3.1718 0 -2 1 28.28 15.52 3.1556 -2 0 1 28.36 26.53 3.1466 -2 1 0 28.38 9.04 3.1449 0 3 1 28.93 8.10 3.0860 0 0 2 29.13 57.23 3.0661 0 2 2 29.33 39.73 3.0448 2 1 0 29.64 50.25 3.0139 -1 0 2 29.73 100.00 3.0050 0 3 0 30.56 19.48 2.9250 -1 -2 1 30.83 12.29 2.9006 -2 2 1 32.02 13.31 2.7953 1 -2 1 32.04 23.41 2.7937 -2 -1 1 32.10 11.22 2.7882 -1 3 0 32.84 26.88 2.7269 -2 2 0 33.05 23.75 2.7107 1 1 2 33.08 21.80 2.7083 2 0 1 33.32 18.40 2.6893 1 3 1 33.54 3.22 2.6716 2 1 1 33.68 19.20 2.6609 0 -1 2 34.01 10.68 2.6361 -1 3 2 34.02 3.03 2.6355 0 3 2 34.26 4.18 2.6172 1 0 2 34.28 36.69 2.6156 -2 1 2 34.53 4.89 2.5975 2 2 0 36.06 5.30 2.4905 -2 0 2 36.90 18.02 2.4362 2 2 1 38.23 12.01 2.3542 -2 -2 1 38.24 10.39 2.3537 1 -1 2 38.45 3.12 2.3410 -1 4 1 39.50 3.43 2.2817 -1 -3 1 39.55 9.65 2.2787 -2 3 0 40.01 2.32 2.2537 0 4 0 40.80 18.78 2.2119 -1 4 2 40.98 4.60 2.2023 0 4 2 41.03 2.34 2.2000 -3 0 1 41.10 1.78 2.1964 3 0 0 41.44 4.92 2.1791 -1 -2 2 41.69 1.62 2.1665 -1 4 0 41.76 11.43 2.1632 0 2 3 41.83 7.49 2.1594 -3 1 0 42.55 12.28 2.1249 2 3 1 42.56 4.17 2.1243 -3 2 1 42.87 4.28 2.1094 3 1 0 42.88 18.31 2.1089 2 1 2 43.08 7.37 2.0999 1 4 0 43.43 4.97 2.0838 -1 3 3 43.63 5.73 2.0745 -1 0 3 43.70 1.56 2.0715 2 0 2 43.96 12.35 2.0597 -2 4 1 43.99 1.65 2.0584 -3 -1 1 44.01 3.59 2.0573 0 0 3 44.32 5.24 2.0440 0 3 3 44.34 12.06 2.0428 1 -2 2 44.50 2.32 2.0358 2 2 2 44.54 3.10 2.0342 -3 1 2 44.87 9.12 2.0198 -2 2 3 44.98 7.23 2.0153 -3 2 0 45.22 17.86 2.0053 -2 4 2 45.73 2.07 1.9841 1 4 2 46.04 6.38 1.9712 -2 -3 1 46.15 3.28 1.9671 -3 0 2 46.34 7.11 1.9594 3 0 1 46.70 9.75 1.9449 1 1 3 46.78 3.05 1.9420 -2 -2 2 46.93 5.50 1.9360 3 2 0 46.98 3.97 1.9341 -2 3 3 47.32 2.29 1.9210 0 -4 1 47.48 1.58 1.9150 2 -3 1 47.60 4.19 1.9102 0 5 1 47.72 7.25 1.9059 -2 4 0 48.11 2.98 1.8912 3 -1 1 48.33 5.93 1.8832 -3 3 2 48.36 1.12 1.8822 -1 -1 3 48.36 4.97 1.8821 2 3 2 48.56 4.81 1.8749 0 -1 3 48.72 3.19 1.8691 1 0 3 48.83 3.22 1.8649 0 -3 2 49.02 1.75 1.8583 0 4 3 49.23 2.62 1.8509 -1 -4 1 49.33 15.58 1.8474 0 5 2 49.46 2.93 1.8429 1 3 3 49.60 4.16 1.8379 3 2 1 49.61 11.06 1.8376 1 -4 1 49.75 10.97 1.8326 -1 -3 2 49.94 2.51 1.8263 -3 -1 2 50.18 3.17 1.8179 -3 3 0 50.20 7.50 1.8175 2 4 0 51.24 6.65 1.7827 1 5 1 51.99 14.43 1.7588 2 -2 2 52.24 5.83 1.7510 -2 -1 3 52.57 4.25 1.7410 -3 2 3 52.67 1.51 1.7379 -2 5 1 52.92 4.20 1.7302 -3 1 3 53.34 2.74 1.7175 -3 4 2 53.97 4.68 1.6990 1 4 3 54.10 5.83 1.6953 2 4 2 54.33 1.17 1.6885 3 3 1 54.46 7.80 1.6847 -4 1 1 54.87 7.72 1.6731 -1 2 4 54.88 2.51 1.6730 0 -2 3 55.01 1.47 1.6693 -4 0 1 55.01 2.57 1.6693 -2 -4 1 55.92 2.22 1.6442 -1 1 4 55.96 1.12 1.6430 -4 2 1 56.22 2.63 1.6362 0 2 4 56.57 1.28 1.6269 3 2 2 56.96 7.71 1.6167 -2 5 0 57.20 1.04 1.6105 -2 5 3 57.56 1.51 1.6013 -4 -1 1 57.69 1.74 1.5979 3 -3 1 57.86 1.19 1.5938 0 -5 1 58.00 3.91 1.5901 -3 4 3 58.14 1.48 1.5866 3 -1 2 58.16 1.88 1.5862 0 6 1 58.17 1.59 1.5859 0 -4 2 58.30 2.38 1.5827 -1 6 2 58.46 2.35 1.5787 -1 6 1 58.47 2.63 1.5785 -2 1 4 58.50 3.44 1.5778 -4 0 2 58.82 1.01 1.5699 -1 4 4 59.64 5.48 1.5502 -3 -1 3 59.66 2.01 1.5498 -1 -5 1 59.72 2.74 1.5483 1 -5 1 59.96 3.82 1.5429 -4 3 2 60.32 2.14 1.5344 3 4 0 60.79 2.48 1.5238 4 0 1 60.85 3.50 1.5224 4 2 0 60.90 2.89 1.5213 -2 4 4 61.19 2.67 1.5146 1 2 4 61.35 3.46 1.5112 4 1 1 61.37 1.14 1.5107 2 5 2 61.49 3.02 1.5080 1 6 1 61.74 2.92 1.5025 0 6 0 61.91 1.30 1.4988 1 1 4 61.95 9.98 1.4978 -4 -2 1 62.23 1.41 1.4919 2 4 3 62.26 1.15 1.4912 -1 6 3 62.38 1.67 1.4886 1 3 4 62.51 2.07 1.4859 3 -2 2 62.64 2.17 1.4830 0 -3 3 62.72 1.21 1.4813 -1 6 0 62.74 2.03 1.4810 -1 -3 3 62.77 2.17 1.4802 -3 -3 2 62.95 1.75 1.4766 -4 3 0 63.11 1.19 1.4732 -4 2 3 63.45 1.48 1.4662 -3 5 3 63.58 4.76 1.4634 -1 5 4 63.62 1.40 1.4625 -2 -4 2 63.74 6.99 1.4602 -1 -1 4 64.48 2.74 1.4450 -3 1 4 64.49 1.76 1.4449 1 0 4 64.53 3.75 1.4441 -4 3 3 64.58 2.60 1.4431 0 -1 4 64.60 3.51 1.4427 -4 4 1 64.69 2.57 1.4410 -2 6 3 64.91 2.15 1.4365 3 -4 1 64.94 1.49 1.4359 -2 -5 1 65.20 1.90 1.4309 0 5 4 65.33 1.44 1.4284 4 -2 1 65.85 1.52 1.4184 -4 0 3 66.03 1.21 1.4149 1 -3 3 66.40 3.51 1.4079 -3 4 4 66.51 8.76 1.4059 3 1 3 66.99 1.60 1.3969 -4 -2 2 67.85 3.17 1.3812 1 6 3 67.87 1.69 1.3810 3 0 3 68.00 1.31 1.3787 4 3 1 68.06 1.84 1.3775 -3 6 2 68.11 1.08 1.3767 2 5 3 68.15 3.52 1.3760 2 6 1 68.83 1.36 1.3641 1 -1 4 69.06 1.04 1.3600 3 5 0 69.22 1.88 1.3572 3 3 3 69.96 2.20 1.3447 2 6 2 70.17 1.53 1.3412 1 5 4 70.23 2.06 1.3402 4 -3 1 70.50 1.66 1.3358 4 2 2 70.63 1.41 1.3337 -3 5 4 70.80 2.43 1.3308 1 -5 2 71.30 2.40 1.3227 -3 -4 2 71.38 3.00 1.3214 -2 7 2 71.53 1.34 1.3191 4 -1 2 71.56 1.13 1.3185 -5 2 2 71.88 1.21 1.3135 -2 3 5 71.88 1.35 1.3134 -1 -4 3 72.48 2.96 1.3041 0 7 3 72.69 1.01 1.3009 -4 5 3 72.73 1.15 1.3002 -4 3 4 73.21 3.06 1.2929 3 4 3 73.84 3.33 1.2834 4 4 1 73.89 1.64 1.2826 -5 2 0 74.32 1.14 1.2763 0 4 5 74.71 3.14 1.2706 -3 6 0 74.78 1.99 1.2695 1 -2 4 75.36 1.76 1.2612 -2 -4 3 75.81 2.04 1.2549 3 -2 3 75.86 1.70 1.2541 -5 -1 2 75.99 1.27 1.2523 -5 2 3 76.01 1.15 1.2520 1 7 0 76.03 1.33 1.2518 3 -4 2 76.38 2.25 1.2469 2 -5 2 76.49 1.63 1.2454 -3 3 5 76.50 2.97 1.2452 -4 0 4 76.64 1.08 1.2433 5 0 1 76.85 1.01 1.2404 1 7 3 77.30 1.10 1.2344 0 0 5 77.41 1.28 1.2329 -3 7 2 77.46 1.38 1.2322 -2 0 5 77.55 2.24 1.2310 -4 6 2 78.87 1.09 1.2136 -4 5 4 79.19 1.07 1.2096 -4 6 3 80.08 2.17 1.1983 -5 4 3 80.41 2.05 1.1943 0 8 2 80.81 2.32 1.1894 -1 -6 2 81.05 1.57 1.1864 4 5 0 81.58 1.11 1.1801 0 8 1 81.60 1.49 1.1798 -1 8 1 82.21 1.10 1.1726 3 -3 3 82.60 2.90 1.1681 1 -7 1 83.18 1.31 1.1614 1 5 5 83.88 1.32 1.1535 -3 7 4 84.50 1.64 1.1466 -4 -5 1 84.71 1.08 1.1442 1 8 1 85.16 1.77 1.1394 -4 6 0 85.18 1.48 1.1392 5 0 2 85.97 1.04 1.1307 -3 6 5 86.78 1.37 1.1222 2 1 5 87.06 1.03 1.1193 -1 8 4 88.84 1.04 1.1014 1 8 0 89.17 1.11 1.0982 6 0 0 89.59 1.24 1.0942 5 3 2 89.95 1.35 1.0907 -5 5 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.