Tunisite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060776 Effenberger H, Kluger F, Pertlik F, Zemann J Tschermaks Mineralogische und Petrographische Mitteilungen 28 (1981) 65-77 Tunisit: kristallstruktur und revision der chemischen formel CELL PARAMETERS: 11.1670 11.1670 6.5410 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: P4/nmm ATOM X Y Z OCCUPANCY ISO(B) Na 0.25000 0.25000 0.93704 1.000 2.550 Ca 0.00000 0.00000 0.00000 1.000 2.560 Al 0.40479 -0.40479 0.50000 1.000 0.520 C 0.25000 0.51396 0.15653 1.000 0.670 O 0.46093 0.64970 0.75908 1.000 0.900 O 0.25000 0.46534 0.98187 1.000 1.260 O 0.25000 0.90696 0.59918 1.000 0.740 O 0.43878 0.43878 0.60715 1.000 0.770 H 0.25000 0.93400 0.72000 1.000 0.770 H 0.39100 0.39100 0.57700 1.000 2.210 Cl 0.25000 0.25000 0.46863 1.000 2.460 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 10 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 7.178011683 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.21 5.66 7.8963 1 1 0 13.54 13.56 6.5410 0 0 1 15.70 5.73 5.6440 1 0 1 15.87 100.00 5.5835 2 0 0 17.61 26.18 5.0372 1 1 1 20.92 6.08 4.2467 2 0 1 22.40 16.24 3.9694 2 1 1 25.22 72.59 3.5313 3 1 0 26.37 5.50 3.3801 2 2 1 27.27 25.09 3.2705 0 0 2 27.57 4.73 3.2352 3 0 1 28.44 2.11 3.1387 1 0 2 28.73 26.09 3.1074 3 1 1 29.56 5.91 3.0216 1 1 2 31.71 2.50 2.8220 2 0 2 31.97 1.22 2.7992 3 2 1 32.06 20.13 2.7917 4 0 0 32.73 36.12 2.7360 2 1 2 34.94 67.64 2.5677 4 0 1 35.65 25.41 2.5186 2 2 2 35.89 16.38 2.5024 4 1 1 36.81 2.20 2.4418 3 3 1 37.48 5.59 2.3995 3 1 2 38.59 18.75 2.3328 4 2 1 40.10 2.04 2.2488 3 2 2 42.23 5.67 2.1399 1 0 3 42.58 6.30 2.1234 4 0 2 42.78 2.00 2.1136 4 3 1 42.78 22.90 2.1136 5 0 1 43.38 4.12 2.0860 4 1 2 43.58 1.21 2.0767 5 1 1 44.17 1.45 2.0505 3 3 2 44.62 2.18 2.0310 2 0 3 45.39 10.08 1.9982 2 1 3 45.71 6.33 1.9847 4 2 2 45.91 3.29 1.9767 5 2 1 45.97 8.38 1.9741 4 4 0 48.15 4.16 1.8899 4 4 1 48.94 5.90 1.8612 6 0 0 49.11 10.34 1.8552 3 1 3 50.13 8.68 1.8197 5 1 2 51.02 25.58 1.7901 6 0 1 51.24 4.29 1.7829 3 2 3 52.23 8.30 1.7513 5 2 2 53.31 8.73 1.7184 4 0 3 53.78 2.55 1.7046 6 2 1 54.28 19.18 1.6901 4 4 2 54.66 2.99 1.6791 3 3 3 55.61 4.48 1.6526 5 3 2 55.99 12.46 1.6424 4 2 3 56.26 4.48 1.6352 0 0 4 56.93 8.20 1.6176 6 0 2 57.09 1.40 1.6133 6 3 1 58.44 6.35 1.5793 5 5 0 58.84 2.42 1.5693 2 0 4 59.66 1.13 1.5499 7 0 1 59.71 2.31 1.5486 6 4 0 60.13 1.07 1.5389 5 4 2 60.29 2.35 1.5351 7 1 1 62.60 5.30 1.4839 3 1 4 63.44 2.68 1.4663 7 3 0 65.20 9.27 1.4308 7 3 1 65.65 3.43 1.4221 7 1 2 65.99 2.93 1.4156 6 0 3 66.83 2.45 1.3999 4 1 4 66.84 1.84 1.3996 6 4 2 67.05 1.62 1.3959 8 0 0 67.42 8.25 1.3890 3 3 4 68.36 1.84 1.3722 6 2 3 68.77 1.54 1.3651 8 0 1 70.36 4.13 1.3380 7 3 2 71.09 3.69 1.3261 8 2 1 71.72 3.82 1.3160 6 6 0 73.39 1.98 1.2902 6 6 1 73.81 1.55 1.2838 8 0 2 75.49 1.87 1.2593 4 4 4 76.26 2.02 1.2485 8 4 0 77.87 1.64 1.2267 3 1 5 77.90 2.02 1.2264 8 4 1 78.31 3.93 1.2209 6 6 2 78.63 4.18 1.2167 7 3 3 79.97 1.11 1.1998 6 2 4 80.30 1.61 1.1956 6 5 3 80.68 1.26 1.1910 9 2 1 81.20 2.38 1.1846 4 0 5 82.31 1.93 1.1715 3 3 5 82.51 1.31 1.1691 7 4 3 83.41 2.68 1.1588 4 2 5 83.84 3.87 1.1539 9 1 2 86.57 2.51 1.1244 6 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.