Faujasite-Ca Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070462 Bennett J M, Smith J V Materials Research Bulletin 3 (1968) 933-940 Positions of cations and molecules in zeolites with the faujasite-type framework III. Hydrated Ca-exchanged faujasite Locality: Sasbach, Kaiserstuhl, Germany CELL PARAMETERS: 24.6400 24.6400 24.6400 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: Fd-3m ATOM X Y Z OCCUPANCY ISO(B) Si 0.96390 0.87450 0.05360 0.703 0.900 Al 0.96390 0.87450 0.05360 0.297 0.900 O 0.10570 0.89430 0.00000 1.000 2.300 O 0.00270 0.00270 0.85730 1.000 1.800 O 0.92370 0.92370 0.03250 1.000 2.000 O 0.92840 0.92840 0.67750 1.000 1.900 O 0.27380 0.27380 0.27380 0.731 11.400 Ca 0.06920 0.06920 0.06920 0.303 2.300 Ca 0.16660 0.16660 0.16660 0.359 4.700 Ca 0.48360 0.48360 0.48360 0.069 3.400 Wa 0.44100 0.44100 0.57500 0.298 6.600 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: 54.65897754 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.21 100.00 14.2259 1 1 1 10.15 7.53 8.7116 2 2 0 11.91 3.42 7.4292 3 1 1 15.68 9.35 5.6528 3 3 1 18.71 3.79 4.7420 5 1 1 20.39 3.53 4.3558 4 4 0 23.68 7.69 3.7576 5 3 3 25.82 1.31 3.4503 5 5 1 27.08 3.85 3.2927 6 4 2 29.68 1.24 3.0103 7 3 3 30.79 1.10 2.9039 6 6 0 31.44 3.52 2.8452 5 5 5 32.50 1.54 2.7548 8 4 0 34.14 2.20 2.6266 6 6 4 34.73 1.35 2.5830 9 3 1 37.95 1.07 2.3710 6 6 6 54.06 1.06 1.6963 11 9 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.