Haydeeite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R120085 Malcherek T, Schluter J Acta Crystallographica B63 (2007) 157-160 Cu3MgCl2(OH)6 and the bond-valence parameters of the OH-Cl bond Locality: Haydee mine, Salar Grande, Atacama desert, Chile _database_code_amcsd 0009948 CELL PARAMETERS: 6.2860 6.2860 5.7560 90.000 90.000 120.000 SPACE GROUP: P-3m1 ATOM X Y Z OCCUPANCY ISO(B) Cu 0.50000 0.00000 0.00000 1.000 0.933 Mg 0.00000 0.00000 0.00000 1.000 0.774 Cl 0.66667 0.33333 0.36355 1.000 1.327 O 0.64810 0.82405 0.15579 1.000 0.916 H 0.20300 0.79700 0.28300 1.000 1.974 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 4 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 51.59853908 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.39 100.00 5.7560 0 0 1 16.28 22.56 5.4438 1 0 0 22.48 1.49 3.9551 0 1 1 31.07 9.18 2.8780 0 0 2 32.46 18.33 2.7585 1 1 1 32.91 15.76 2.7219 2 0 0 35.28 10.51 2.5443 1 0 2 35.28 1.38 2.5443 0 1 2 36.52 68.80 2.4607 0 2 1 36.52 6.65 2.4607 2 0 1 42.59 1.13 2.1226 1 1 2 44.01 1.29 2.0576 2 1 0 45.89 20.34 1.9776 0 2 2 45.89 16.31 1.9776 2 0 2 47.38 3.42 1.9187 0 0 3 50.43 2.23 1.8096 0 1 3 52.90 2.51 1.7306 0 3 1 52.90 1.11 1.7306 3 0 1 54.85 4.43 1.6738 2 1 2 58.76 16.76 1.5715 2 2 0 58.89 9.56 1.5682 0 2 3 58.89 4.80 1.5682 2 0 3 61.13 11.16 1.5160 2 2 1 66.65 2.02 1.4032 1 2 3 67.96 5.15 1.3793 2 2 2 69.01 1.75 1.3610 4 0 0 70.42 1.59 1.3370 1 3 2 71.19 1.10 1.3244 0 4 1 71.19 6.24 1.3244 4 0 1 74.60 3.32 1.2722 0 2 4 74.60 4.91 1.2722 2 0 4 77.60 2.62 1.2303 0 4 2 77.60 2.69 1.2303 4 0 2 78.71 3.81 1.2158 2 2 3 87.97 2.22 1.1101 4 0 3 87.97 1.09 1.1101 0 4 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.