Blodite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R050317 Hawthorne F C The Canadian Mineralogist 23 (1985) 669-674 Refinement of the crystal structure of bloedite: Structural similarities in the [M(T_4)2_n] finite-cluster minerals CELL PARAMETERS: 11.1320 8.2560 5.5430 90.000 100.850 90.000 SPACE GROUP: P2_1/a ATOM X Y Z OCCUPANCY ISO(B) Na 0.36178 0.07050 0.13050 1.000 1.583 Mg 0.00000 0.00000 0.00000 1.000 0.842 S 0.13640 0.29075 0.36935 1.000 0.827 O 0.26630 0.27120 0.34760 1.000 1.544 O 0.08020 0.42140 0.20910 1.000 1.598 O 0.07040 0.13720 0.30580 1.000 1.496 O 0.13210 0.32830 0.62970 1.000 1.549 O 0.16030 0.03780 0.87270 1.000 1.162 O 0.08090 0.79080 0.17740 1.000 1.364 H 0.15300 0.11900 0.80200 1.000 27.286 H -0.17500 0.03400 0.21500 1.000 27.286 H 0.46600 0.22600 0.75500 1.000 27.286 H -0.13700 0.20200 -0.27600 1.000 27.286 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 7 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 5.057753785 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 16.21 2.13 5.4665 2 0 0 19.48 86.96 4.5579 2 1 0 19.53 60.82 4.5448 0 1 1 19.94 4.31 4.4520 -1 1 1 20.75 40.98 4.2813 -2 0 1 21.53 10.43 4.1280 0 2 0 22.33 8.48 3.9808 1 1 1 23.03 4.07 3.8619 1 2 0 23.41 29.76 3.8007 -2 1 1 26.74 17.76 3.3340 3 1 0 27.07 8.25 3.2942 2 2 0 27.11 100.00 3.2893 0 2 1 27.41 41.64 3.2536 -1 2 1 27.42 65.22 3.2525 2 1 1 28.89 2.63 3.0900 -3 1 1 29.23 1.70 3.0554 1 2 1 30.07 37.24 2.9717 -2 2 1 32.77 33.75 2.7332 4 0 0 32.91 9.12 2.7220 0 0 2 33.35 12.31 2.6866 2 2 1 33.58 3.63 2.6688 1 3 0 33.81 28.76 2.6509 -4 0 1 33.91 11.61 2.6432 -2 0 2 34.19 2.73 2.6229 -1 1 2 34.59 3.31 2.5929 -3 2 1 34.70 20.47 2.5851 0 1 2 35.67 1.99 2.5173 -2 1 2 36.59 2.27 2.4560 0 3 1 37.14 1.88 2.4207 1 1 2 38.90 3.58 2.3150 -2 3 1 38.91 4.91 2.3144 3 2 1 39.20 11.61 2.2980 -1 2 2 39.54 1.54 2.2790 4 2 0 39.58 7.83 2.2768 4 0 1 39.66 3.60 2.2724 0 2 2 39.67 6.31 2.2719 2 0 2 40.44 1.00 2.2306 -4 2 1 41.10 4.69 2.1962 3 3 0 41.57 11.95 2.1724 2 3 1 41.86 5.43 2.1583 1 2 2 42.22 8.91 2.1407 -4 0 2 42.78 7.29 2.1137 5 1 0 42.99 1.64 2.1038 -5 1 1 43.50 1.10 2.0806 -3 2 2 43.86 2.22 2.0640 0 4 0 44.68 20.67 2.0282 1 4 0 45.50 2.48 1.9937 4 2 1 45.58 2.82 1.9904 2 2 2 46.30 12.01 1.9610 3 3 1 46.85 4.24 1.9393 4 3 0 46.95 14.07 1.9352 0 3 2 47.22 10.48 1.9247 -5 2 1 47.63 1.76 1.9092 -4 3 1 47.87 2.53 1.9003 -4 2 2 48.44 1.36 1.8792 1 4 1 48.88 7.18 1.8633 1 3 2 48.98 1.79 1.8595 5 1 1 48.99 2.56 1.8592 -2 4 1 49.68 1.44 1.8350 -6 0 1 49.88 1.76 1.8282 -2 0 3 50.34 1.23 1.8126 -3 3 2 50.56 1.29 1.8051 3 2 2 50.64 2.07 1.8026 -1 1 3 50.84 1.86 1.7960 3 4 0 50.98 5.00 1.7913 -6 1 1 51.18 11.60 1.7850 -2 1 3 51.24 1.24 1.7829 2 4 1 51.35 3.98 1.7793 6 1 0 52.21 2.25 1.7520 2 3 2 52.85 1.91 1.7324 5 2 1 53.15 2.48 1.7233 -3 1 3 54.74 9.57 1.6768 -6 2 1 55.09 3.11 1.6670 6 2 0 55.12 9.41 1.6661 -6 0 2 55.30 4.35 1.6612 0 2 3 55.55 1.07 1.6543 -1 4 2 56.45 1.18 1.6302 -4 1 3 57.36 2.07 1.6063 6 1 1 57.54 1.90 1.6019 1 2 3 57.54 3.28 1.6018 2 1 3 57.62 1.49 1.5998 1 4 2 58.57 1.27 1.5761 -1 5 1 58.89 3.75 1.5683 5 3 1 58.92 2.46 1.5674 -3 4 2 59.57 8.57 1.5519 1 5 1 59.97 4.92 1.5424 -4 2 3 60.35 2.22 1.5337 -1 3 3 60.61 2.31 1.5277 2 4 2 60.98 4.47 1.5193 6 3 0 61.03 7.34 1.5183 2 2 3 61.67 1.16 1.5040 3 5 0 61.81 6.49 1.5009 5 4 0 62.40 3.88 1.4883 4 3 2 64.31 3.19 1.4485 -5 2 3 64.79 3.08 1.4390 3 4 2 66.43 1.20 1.4073 6 3 1 66.49 2.93 1.4063 -6 1 3 68.52 1.46 1.3694 -8 1 1 68.68 1.28 1.3666 8 0 0 69.01 2.57 1.3610 0 0 4 69.16 5.18 1.3583 7 3 0 70.75 5.95 1.3316 -1 6 1 71.37 2.07 1.3216 -4 0 4 72.98 1.06 1.2964 -6 4 2 73.23 1.28 1.2925 0 2 4 73.87 1.22 1.2829 6 4 1 76.25 1.21 1.2487 5 5 1 77.19 1.02 1.2358 -2 3 4 77.29 1.14 1.2345 3 6 1 77.54 2.39 1.2311 -1 5 3 78.00 1.48 1.2250 5 2 3 78.08 1.30 1.2240 8 3 0 78.34 1.23 1.2205 -3 3 4 78.84 3.42 1.2141 8 2 1 79.71 1.93 1.2029 -7 4 2 80.60 1.97 1.1919 -6 1 4 81.78 1.21 1.1776 4 6 1 82.21 1.65 1.1726 1 7 0 83.04 2.06 1.1629 -5 6 1 83.49 1.22 1.1578 -8 2 3 84.30 1.94 1.1488 -1 4 4 84.88 1.06 1.1424 -7 5 1 85.25 1.62 1.1384 8 0 2 85.48 1.66 1.1360 4 0 4 86.14 2.33 1.1289 -5 5 3 87.37 1.95 1.1162 3 5 3 87.75 1.70 1.1123 1 4 4 88.64 1.45 1.1034 -6 3 4 88.76 1.03 1.1022 3 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.