Dioptase Belokoneva E L, Gubina Y K, Forsyth J B, Brown P J Physics and Chemistry of Minerals 29 (2002) 430-438 The charge-density distribution, its multipole refinement and the antiferromagnetic structure of dioptase, Cu6[Si6O18].6H2O _database_code_amcsd 0008642 CELL PARAMETERS: 8.8190 8.8190 8.8190 111.700 111.700 111.700 SPACE GROUP: R-3 X-RAY WAVELENGTH: 1.541838 Cell Volume: 479.521 Density (g/cm3): 3.275 MAX. ABS. INTENSITY / VOLUME**2: 33.10201482 RIR: 3.291 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.13 100.00 7.2983 0 -1 1 6 13.34 1.00 6.6358 1 0 0 6 18.07 36.20 4.9098 1 -1 1 6 21.08 6.34 4.2137 1 -2 1 6 21.82 6.16 4.0738 0 -1 2 6 21.82 21.31 4.0738 -1 0 2 6 23.89 2.65 3.7251 1 1 0 6 24.39 7.62 3.6492 0 -2 2 6 26.87 5.34 3.3179 2 0 0 6 27.90 18.21 3.1976 1 -2 2 6 27.90 3.50 3.1976 2 -2 1 6 29.58 3.11 3.0204 2 -1 1 6 30.52 3.87 2.9288 -1 -1 3 6 32.46 7.08 2.7585 2 -3 1 6 32.46 1.34 2.7585 1 -3 2 6 32.95 5.89 2.7181 0 -2 3 6 32.95 15.48 2.7181 -2 0 3 6 34.40 54.70 2.6068 0 -1 3 6 34.40 4.90 2.6068 -1 0 3 6 34.51 3.62 2.5988 1 1 1 2 36.71 2.57 2.4482 2 0 1 6 36.71 12.11 2.4482 2 1 0 6 37.39 11.76 2.4049 2 -3 2 6 38.70 1.17 2.3268 3 -2 1 6 39.45 13.08 2.2841 3 -3 1 6 40.79 4.42 2.2119 3 0 0 6 41.42 2.00 2.1799 -2 -1 4 6 42.62 21.18 2.1212 -1 -1 4 6 42.71 1.99 2.1168 3 -1 1 6 44.48 1.95 2.0369 0 -2 4 6 44.48 5.87 2.0369 -2 0 4 6 44.77 2.58 2.0242 3 -4 1 6 44.77 8.94 2.0242 1 -4 3 6 46.28 1.96 1.9619 3 -3 2 6 48.65 2.24 1.8714 2 -4 3 6 49.99 2.35 1.8246 0 -4 4 6 51.45 1.59 1.7760 1 -2 4 6 51.98 6.03 1.7593 4 -4 1 6 51.98 1.20 1.7593 -2 -2 5 6 52.99 7.66 1.7280 -1 -2 5 6 53.58 3.92 1.7103 -3 -1 5 6 53.81 5.03 1.7035 2 -1 3 6 53.81 8.84 1.7035 3 -1 2 6 56.13 1.87 1.6386 0 -3 5 6 56.13 2.35 1.6386 3 -4 3 6 56.92 1.08 1.6177 4 -1 1 6 57.66 2.88 1.5988 4 -4 2 6 57.73 1.33 1.5969 -2 0 5 6 57.90 2.48 1.5926 1 -5 4 6 61.39 7.11 1.5102 4 -2 2 6 61.39 3.60 1.5102 2 -2 4 6 62.09 1.29 1.4948 1 -4 5 6 62.16 4.18 1.4933 5 -3 1 6 62.16 1.32 1.4933 1 -3 5 6 63.76 3.90 1.4597 0 -5 5 6 64.06 3.46 1.4536 -2 -3 6 6 65.52 2.50 1.4247 4 1 0 6 65.52 4.32 1.4247 4 0 1 6 66.42 1.40 1.4075 3 -4 4 6 66.42 2.90 1.4075 -2 -1 6 6 66.87 5.57 1.3991 -1 -4 6 6 67.74 1.16 1.3832 3 -5 4 6 67.96 1.54 1.3793 2 -6 4 6 68.45 1.55 1.3706 4 -3 3 6 69.18 5.91 1.3579 2 -4 5 6 69.18 1.13 1.3579 0 -3 6 6 69.18 1.18 1.3579 -3 0 6 6 69.18 2.06 1.3579 5 -4 2 6 70.48 1.95 1.3361 5 -5 2 6 72.37 2.56 1.3057 1 -1 5 6 72.78 1.36 1.2994 2 2 2 2 74.12 2.04 1.2793 3 1 2 6 75.82 1.26 1.2546 1 -5 6 6 78.66 1.27 1.2164 0 -6 6 6 81.05 1.45 1.1865 5 -6 3 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.