Koenenite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of 060989 Allmann R, Lohse H N, Hellner E Zeitschrift fur Kristallographie 126 (1968) 7-22 Die kristallstruktur des koenenits, eine doppelschichtstruktur mit zwei inkommensurablen teilgittern Note: one of two substructures in koenenite CELL PARAMETERS: 4.1100 4.1100 32.9000 90.000 90.000 120.000 SPACE GROUP: R-3m ATOM X Y Z OCCUPANCY ISO(B) Na 0.00000 0.00000 0.00000 0.667 2.300 Ca 0.00000 0.00000 0.00000 0.222 2.300 Mg 0.00000 0.00000 0.00000 0.111 2.300 Cl 0.66667 0.33333 0.04636 1.000 3.600 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 3 +/- 3 +/- 30 MAX. ABS. INTENSITY / VOLUME**2: 35.51783454 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.06 100.00 10.9667 0 0 3 24.35 1.42 3.6556 0 0 9 25.61 4.03 3.4789 0 1 2 27.30 13.35 3.2666 1 0 4 28.51 3.05 3.1307 0 1 5 31.53 16.49 2.8375 1 0 7 37.22 5.62 2.4160 1 0 10 39.35 3.58 2.2898 0 1 11 44.07 4.88 2.0550 1 1 0 44.87 5.14 2.0198 1 1 3 46.30 3.96 1.9611 0 1 14 52.62 1.23 1.7394 0 2 4 53.93 1.38 1.7002 0 1 17 55.19 1.89 1.6644 0 2 7 73.18 1.04 1.2934 2 1 7 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.