Faujasite-Mg Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080141 Baur W H American Mineralogist 49 (1964) 697-704 On the cation and water positions in faujasite CELL PARAMETERS: 24.6660 24.6660 24.6660 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: Fd3m ATOM X Y Z OCCUPANCY ISO(B) Si 0.12544 0.94655 0.03626 0.700 1.200 Al 0.12544 0.94655 0.03626 0.300 1.200 Na 0.06990 0.06990 0.06990 0.150 2.600 Ca 0.06990 0.06990 0.06990 0.075 2.600 O 0.17420 0.17420 0.96800 1.000 2.800 O 0.17730 0.17730 0.32320 1.000 2.500 O 0.25270 0.25270 0.14350 1.000 2.500 O 0.10530 0.89470 0.00000 1.000 2.800 OH 0.16730 0.16730 0.16730 1.000 3.200 OH 0.27200 0.27200 0.27200 0.333 3.900 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 22 +/- 22 +/- 22 MAX. ABS. INTENSITY / VOLUME**2: 61.34743697 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.21 100.00 14.2409 1 1 1 10.14 6.14 8.7207 2 2 0 11.90 4.98 7.4371 3 1 1 15.66 9.04 5.6588 3 3 1 18.69 3.66 4.7470 5 1 1 20.37 3.54 4.3604 4 4 0 23.65 5.39 3.7615 5 3 3 27.05 3.41 3.2961 6 4 2 29.65 1.17 3.0134 7 3 3 30.76 1.16 2.9069 6 6 0 31.41 3.45 2.8482 5 5 5 32.47 1.19 2.7577 8 4 0 34.10 1.86 2.6294 6 6 4 37.91 1.18 2.3735 6 6 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.