Cryolithionite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080051 Geller S American Mineralogist 56 (1971) 18-23 Refinement of the crystal structure of cryolithionite, {Na3}[Al2](Li3)F12 CELL PARAMETERS: 12.1190 12.1190 12.1190 90.000 90.000 90.000 SPACE GROUP: Ia-3d ATOM X Y Z OCCUPANCY ISO(B) Na 0.12500 0.00000 0.25000 1.000 1.210 Al 0.00000 0.00000 0.00000 1.000 0.423 Li 0.37500 0.00000 0.25000 1.000 0.911 F -0.02888 0.04268 0.13989 1.000 0.983 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 11 +/- 11 MAX. ABS. INTENSITY / VOLUME**2: 8.965631391 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 17.93 11.88 4.9476 2 1 1 20.73 100.00 4.2847 2 2 0 27.54 3.66 3.2389 3 2 1 29.48 54.85 3.0298 4 0 0 33.06 36.29 2.7099 4 2 0 34.72 16.75 2.5838 3 3 2 37.85 36.93 2.3767 4 3 1 40.78 56.38 2.2126 5 2 1 42.18 3.60 2.1424 4 4 0 46.17 27.18 1.9660 5 3 2 46.17 41.29 1.9660 6 1 1 47.45 23.36 1.9162 6 2 0 52.30 10.72 1.7492 4 4 4 53.46 3.06 1.7139 5 4 3 54.61 20.92 1.6806 6 4 0 55.74 13.62 1.6492 5 5 2 56.85 41.16 1.6195 6 4 2 60.12 2.42 1.5391 7 3 2 60.12 7.07 1.5391 6 5 1 61.18 12.17 1.5149 8 0 0 62.23 2.61 1.4917 7 4 1 63.28 1.10 1.4696 8 2 0 65.34 8.00 1.4282 8 2 2 65.34 1.44 1.4282 6 6 0 66.35 2.48 1.4088 7 4 3 69.36 15.89 1.3549 8 4 0 71.33 2.54 1.3223 8 4 2 72.30 1.03 1.3068 7 6 1 73.27 8.53 1.2919 6 6 4 74.24 1.47 1.2775 7 5 4 74.24 2.35 1.2775 8 5 1 76.16 2.24 1.2500 9 3 2 77.11 3.89 1.2369 8 4 4 78.06 4.78 1.2242 9 4 1 78.06 6.43 1.2242 8 5 3 80.89 1.93 1.1884 8 6 2 83.70 2.87 1.1555 7 6 5 86.49 3.50 1.1252 10 4 0 86.49 2.07 1.1252 8 6 4 87.42 3.80 1.1156 9 6 1 88.35 9.39 1.1063 10 4 2 89.28 1.88 1.0972 8 7 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.