Eglestonite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R140234 Mereiter K, Zemann J, Hewat A W American Mineralogist 77 (1992) 839-842 Eglestonite, [Hg2]3Cl3O2H: Confirmation of the chemical formula by neutron powder diffraction sample SX examined by single-crystal X-ray diffraction _database_code_amcsd 0001529 CELL PARAMETERS: 16.0450 16.0450 16.0450 90.000 90.000 90.000 SPACE GROUP: Ia-3d ATOM X Y Z OCCUPANCY ISO(B) Hg 0.17220 0.01354 0.00911 1.000 2.299 Cl 0.12500 0.36416 0.88584 1.000 1.960 O 0.04460 0.04460 0.04460 1.000 1.130 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 14 +/- 14 +/- 14 MAX. ABS. INTENSITY / VOLUME**2: 435.1268226 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.52 6.24 6.5503 2 1 1 22.16 36.57 4.0113 4 0 0 27.23 100.00 3.2752 4 2 2 30.52 5.24 2.9294 5 2 1 31.54 3.91 2.8364 4 4 0 34.46 7.38 2.6028 6 1 1 35.38 44.87 2.5369 6 2 0 36.29 4.69 2.4758 5 4 1 38.89 9.84 2.3159 4 4 4 39.72 4.09 2.2691 5 4 3 41.35 1.20 2.1834 7 2 1 44.46 1.90 2.0377 7 3 2 45.21 3.61 2.0056 8 0 0 48.12 25.09 1.8909 8 2 2 48.12 30.18 1.8909 6 6 0 48.83 2.09 1.8652 8 3 1 50.90 1.45 1.7939 8 4 0 53.58 12.14 1.7104 6 6 4 54.23 1.65 1.6913 8 5 1 56.17 5.79 1.6376 8 4 4 56.80 1.01 1.6208 9 4 1 58.06 1.66 1.5887 10 1 1 59.30 1.70 1.5584 9 4 3 60.52 1.96 1.5298 7 6 5 60.52 1.09 1.5298 10 3 1 61.73 4.71 1.5028 8 7 1 63.52 4.81 1.4647 10 4 2 67.59 1.21 1.3861 10 5 3 68.16 4.01 1.3758 10 6 0 68.16 1.89 1.3758 8 6 6 70.42 2.05 1.3371 12 0 0 70.42 5.48 1.3371 8 8 4 72.10 1.03 1.3101 10 5 5 74.85 3.38 1.2685 12 4 0 77.04 3.05 1.2379 10 8 2 77.58 1.06 1.2306 12 5 1 78.66 1.03 1.2164 10 7 5 81.35 3.14 1.1829 12 6 2 84.01 1.84 1.1520 12 7 1 89.84 3.22 1.0917 12 6 6 89.84 3.06 1.0917 14 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.