Pseudomalachite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040175 Shoemaker G L, Anderson J B, Kostiner E American Mineralogist 62 (1977) 1042-1048 Refinement of the crystal structure of pseudomalachite CELL PARAMETERS: 4.4780 5.7508 17.0435 90.000 91.061 90.000 SPACE GROUP: P2_1/c ATOM X Y Z OCCUPANCY ISO(B) Cu 0.00000 0.00000 0.00000 1.000 1.180 Cu 0.04610 0.47260 0.08560 1.000 1.069 Cu -0.01710 0.32870 0.25705 1.000 1.067 P 0.52550 0.09420 0.13480 1.000 0.825 O 0.71090 0.15610 0.06220 1.000 1.242 O 0.32420 0.30590 0.15110 1.000 1.130 O 0.74050 0.07620 0.20770 1.000 1.020 O 0.34870 0.87250 0.12470 1.000 1.566 OH 0.17220 0.32010 -0.01420 1.000 1.005 OH 0.15210 0.07190 0.31660 1.000 0.843 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 5 +/- 15 MAX. ABS. INTENSITY / VOLUME**2: 26.99758677 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.38 1.87 8.5203 0 0 2 18.61 14.50 4.7666 0 1 2 19.83 100.00 4.4772 1 0 0 20.85 3.03 4.2601 0 0 4 25.68 24.87 3.4693 -1 1 1 25.83 8.36 3.4492 1 1 1 26.03 1.44 3.4232 0 1 4 27.18 4.74 3.2804 -1 1 2 28.66 39.89 3.1152 -1 0 4 29.20 23.22 3.0581 1 0 4 29.58 7.15 3.0198 -1 1 3 29.98 26.59 2.9805 1 1 3 30.49 20.70 2.9319 0 1 5 31.10 7.16 2.8754 0 2 0 31.50 6.04 2.8401 0 0 6 31.55 4.48 2.8353 0 2 1 32.69 2.20 2.7391 -1 1 4 32.87 17.57 2.7244 0 2 2 33.18 2.45 2.7001 1 1 4 34.98 3.98 2.5654 0 2 3 35.24 1.51 2.5465 0 1 6 36.36 17.97 2.4709 -1 1 5 36.91 33.93 2.4351 1 1 5 37.16 6.66 2.4194 1 2 0 37.17 26.67 2.4186 -1 0 6 37.60 35.37 2.3921 1 2 1 37.75 4.33 2.3833 0 2 4 37.83 1.55 2.3784 1 0 6 38.58 16.51 2.3335 -1 2 2 38.79 17.44 2.3213 1 2 2 40.23 11.29 2.2418 0 1 7 40.29 14.26 2.2386 2 0 0 40.46 4.19 2.2295 -1 1 6 40.68 3.90 2.2179 1 2 3 41.07 4.79 2.1977 0 2 5 42.44 5.82 2.1301 0 0 8 43.19 9.46 2.0948 1 2 4 44.91 4.76 2.0184 -1 1 7 44.91 1.55 2.0183 2 1 2 45.42 4.45 1.9970 -2 0 4 45.56 2.29 1.9910 1 1 7 45.77 2.37 1.9822 -1 2 5 46.23 4.74 1.9636 1 2 5 46.64 4.25 1.9474 2 1 3 47.61 1.02 1.9098 1 0 8 48.69 1.65 1.8702 0 3 2 49.03 7.68 1.8579 0 2 7 50.23 2.58 1.8163 0 3 3 50.77 2.76 1.7984 0 1 9 50.93 3.48 1.7931 -2 1 5 51.51 2.65 1.7742 -2 0 6 51.75 3.38 1.7664 2 2 0 51.77 6.67 1.7658 2 1 5 51.97 2.54 1.7596 -2 2 1 52.14 2.43 1.7544 2 2 1 52.52 2.91 1.7425 2 0 6 52.77 15.03 1.7347 -2 2 2 53.10 3.95 1.7247 -1 2 7 53.10 3.74 1.7246 2 2 2 53.68 4.75 1.7075 1 2 7 54.10 1.48 1.6953 -2 1 6 54.15 3.25 1.6938 -2 2 3 54.40 1.48 1.6866 -1 3 3 54.64 1.74 1.6796 1 3 3 54.66 2.11 1.6791 -1 1 9 54.96 5.99 1.6708 0 3 5 56.71 3.36 1.6233 2 2 4 57.34 1.76 1.6067 -1 2 8 57.70 11.23 1.5977 -2 1 7 58.50 3.63 1.5777 -2 2 5 58.79 2.78 1.5707 2 1 7 58.82 1.21 1.5700 -1 3 5 59.20 3.06 1.5607 1 3 5 59.27 7.79 1.5590 2 2 5 59.92 1.19 1.5437 -1 1 10 60.55 5.93 1.5291 2 0 8 61.58 6.00 1.5061 0 3 7 62.05 3.46 1.4958 0 1 11 62.20 3.01 1.4924 3 0 0 62.60 1.11 1.4839 1 2 9 63.45 5.13 1.4660 0 2 10 63.94 1.05 1.4560 2 3 0 64.83 1.26 1.4381 -2 3 2 65.11 2.46 1.4326 0 4 1 65.12 5.75 1.4324 -1 3 7 65.63 2.14 1.4225 1 3 7 65.76 2.50 1.4200 0 0 12 65.77 1.34 1.4199 2 2 7 65.88 2.22 1.4177 0 4 2 65.94 2.06 1.4167 -3 0 4 66.07 1.88 1.4142 -2 1 9 66.48 1.76 1.4064 2 3 3 66.84 2.59 1.3998 -1 2 10 67.15 3.77 1.3940 3 1 3 67.16 3.69 1.3937 0 4 3 67.55 4.00 1.3867 1 2 10 68.55 1.93 1.3689 1 4 0 68.84 1.26 1.3638 0 2 11 69.01 3.96 1.3609 -1 0 12 69.49 2.66 1.3527 -1 4 2 69.63 1.04 1.3503 1 4 2 69.86 5.30 1.3464 1 0 12 70.32 2.47 1.3387 -3 1 5 70.66 1.83 1.3332 2 3 5 70.70 4.87 1.3325 -1 4 3 70.91 2.12 1.3290 1 4 3 71.32 1.66 1.3223 -3 2 1 71.37 2.19 1.3215 3 1 5 71.53 3.12 1.3190 3 2 1 71.96 4.38 1.3122 -3 2 2 72.03 1.88 1.3112 3 0 6 75.71 1.48 1.2563 -2 3 7 77.62 1.13 1.2301 -1 2 12 78.57 1.44 1.2175 2 2 10 79.02 1.40 1.2118 3 0 8 80.00 1.91 1.1994 -2 4 2 80.53 1.16 1.1927 0 2 13 80.82 1.83 1.1892 2 0 12 81.12 1.17 1.1856 -2 4 3 82.16 1.24 1.1732 -2 2 11 84.64 1.50 1.1450 0 4 9 87.06 1.16 1.1193 4 0 0 88.17 1.08 1.1080 3 3 5 89.11 1.11 1.0989 0 4 10 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.