Hauyne Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R070121 Hassan I, Grundy H D The Canadian Mineralogist 29 (1991) 123-130 The crystal structure of hauyne at 293 and 153 K Sample: at T = 153 K Locality: Valle Biacheela, Sacrafano, Italy CELL PARAMETERS: 9.0820 9.0820 9.0820 90.000 90.000 90.000 SPACE GROUP: P-43n ATOM X Y Z OCCUPANCY ISO(B) Al 0.25000 0.00000 0.50000 1.000 0.553 Si 0.25000 0.50000 0.00000 1.000 0.474 Ol 0.14430 0.15580 0.46690 1.000 1.579 K 0.66400 0.66400 0.66400 0.200 1.026 Ca 0.70090 0.70090 0.66400 0.300 1.974 Na 0.73920 0.73920 0.73920 0.540 1.421 S 0.46690 0.46690 0.46690 0.190 3.553 O 0.59950 0.59950 0.46690 0.750 11.449 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 35.89960394 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.79 15.38 6.4219 1 1 0 24.00 100.00 3.7077 2 1 1 27.78 7.53 3.2110 2 2 0 31.14 15.65 2.8720 3 1 0 34.20 19.10 2.6217 2 2 2 37.04 11.30 2.4273 3 2 1 39.70 3.21 2.2705 4 0 0 42.22 15.53 2.1406 3 3 0 42.22 21.41 2.1406 4 1 1 49.15 4.65 1.8539 4 2 2 51.29 5.29 1.7811 4 3 1 57.39 3.93 1.6055 4 4 0 59.33 3.76 1.5576 5 3 0 59.33 1.94 1.5576 4 3 3 61.24 1.54 1.5137 6 0 0 61.24 2.92 1.5137 4 4 2 63.10 4.94 1.4733 5 3 2 68.54 4.23 1.3692 6 2 2 70.30 1.05 1.3391 6 3 1 72.04 3.15 1.3109 4 4 4 77.18 2.95 1.2359 6 3 3 77.18 2.73 1.2359 7 2 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.