Berzeliite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R061084 Hawthorne F C Acta Crystallographica B32 (1976) 1581-1583 Refinement of the crystal structure of berzeliite Note: garnet structure Locality: Langban, Sweden CELL PARAMETERS: 12.3410 12.3410 12.3410 90.000 90.000 90.000 SPACE GROUP: Ia3d ATOM X Y Z OCCUPANCY ISO(B) Na 0.12500 0.00000 0.25000 0.333 0.552 Ca 0.12500 0.00000 0.25000 0.667 0.552 Mg 0.00000 0.00000 0.00000 0.850 0.548 Mn 0.00000 0.00000 0.00000 0.150 0.548 As 0.37500 0.00000 0.25000 1.000 0.193 O 0.03910 0.05220 0.65680 1.000 0.495 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: 56.64622545 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 17.60 26.66 5.0382 2 1 1 20.35 8.49 4.3632 2 2 0 27.03 17.71 3.2983 3 2 1 28.94 23.70 3.0852 4 0 0 32.44 100.00 2.7595 4 2 0 34.08 19.45 2.6311 3 3 2 35.64 24.96 2.5191 4 2 2 37.15 6.02 2.4203 4 3 1 41.39 3.37 2.1816 4 4 0 50.13 3.92 1.8196 6 3 1 51.29 15.93 1.7813 4 4 4 53.55 29.46 1.7114 6 4 0 54.65 1.75 1.6794 7 2 1 55.74 31.70 1.6491 6 4 2 58.93 2.56 1.5673 7 3 2 58.93 1.55 1.5673 6 5 1 59.97 8.82 1.5426 8 0 0 63.02 3.67 1.4750 6 5 3 66.97 2.44 1.3973 7 5 2 67.94 6.77 1.3798 8 4 0 69.85 19.47 1.3465 8 4 2 70.80 3.03 1.3308 7 6 1 71.75 4.78 1.3156 6 6 4 79.14 1.67 1.2101 10 2 0 79.14 1.77 1.2101 8 6 2 84.57 6.03 1.1458 10 4 0 84.57 10.36 1.1458 8 6 4 86.36 7.22 1.1266 10 4 2 89.94 8.18 1.0908 8 8 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.