Ktenasite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R090002 Mellini M, Merlino S Zeitschrift fur Kristallographie 147 (1978) 129-140 Ktenasite, another mineral with 2[(Cu,Zn)2(OH)3O]- octahedral sheets Locality: Miniera Trentin, Vicenza, Italy CELL PARAMETERS: 5.5890 6.1570 23.7600 90.000 95.660 90.000 SPACE GROUP: P2_1/c ATOM X Y Z OCCUPANCY ISO(B) Cu -0.01060 0.09950 0.24900 0.450 1.622 Zn -0.01060 0.09950 0.24900 0.550 1.622 Cu 0.49900 -0.15080 0.24700 0.750 1.823 Zn 0.49900 -0.15080 0.24700 0.250 1.823 Zn 0.00000 0.00000 0.00000 1.000 1.911 S 0.36000 0.05710 0.37380 1.000 1.055 O 0.33280 0.09460 0.31280 1.000 1.278 Oh 0.60730 0.10490 0.20960 1.000 1.224 Oh 0.83960 0.35560 0.28960 1.000 1.211 Oh 0.16350 0.34400 0.21490 1.000 1.250 O 0.12640 -0.00710 0.39270 1.000 1.946 O 0.44090 0.25940 0.40180 1.000 2.419 O 0.53850 -0.11610 0.38590 1.000 1.922 Ow 0.91630 0.06260 0.08270 1.000 1.997 Ow 0.32810 0.16170 0.01890 1.000 2.085 Ow 0.14360 -0.28900 0.02900 1.000 2.042 H 0.59300 0.08300 0.17500 1.000 2.000 H 0.85600 0.35000 0.32800 1.000 2.000 H 0.15400 0.34400 0.18400 1.000 2.000 H 0.98900 0.03100 0.10300 1.000 2.000 H 0.78200 0.01700 0.07700 1.000 2.000 H 0.36300 0.07800 0.01600 1.000 2.000 H 0.36200 0.25000 0.04600 1.000 2.000 H 0.20200 -0.23900 0.05600 1.000 2.000 H 0.04200 -0.33300 0.05600 1.000 2.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 21 MAX. ABS. INTENSITY / VOLUME**2: 41.94604077 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.48 100.00 11.8221 0 0 2 14.99 41.23 5.9110 0 0 4 16.23 1.05 5.4608 0 1 2 18.28 16.18 4.8520 0 1 3 18.29 9.08 4.8517 1 0 2 20.82 5.16 4.2660 -1 0 4 21.58 9.34 4.1171 -1 1 1 22.13 2.01 4.0162 1 1 1 22.56 11.96 3.9407 0 0 6 23.01 3.53 3.8648 1 0 4 23.59 1.74 3.7714 -1 1 3 23.72 9.54 3.7503 0 1 5 26.40 4.03 3.3763 -1 0 6 27.63 1.25 3.2287 -1 1 5 29.00 1.10 3.0785 0 2 0 29.03 1.03 3.0755 1 0 6 30.24 13.77 2.9555 0 0 8 32.19 8.47 2.7809 2 0 0 33.02 1.11 2.7131 -1 1 7 33.26 3.49 2.6934 1 2 0 33.30 7.07 2.6906 -1 2 1 33.67 3.82 2.6619 1 2 1 33.83 4.64 2.6494 2 0 2 34.25 1.04 2.6177 -2 0 4 34.50 1.62 2.5994 1 2 2 34.68 12.65 2.5868 -1 2 3 35.42 1.95 2.5344 2 1 0 35.56 1.18 2.5249 1 1 7 35.98 1.38 2.4964 -1 2 4 35.98 1.50 2.4963 2 1 1 36.06 1.04 2.4908 -1 1 8 37.06 8.01 2.4258 2 0 4 37.34 1.59 2.4080 1 2 4 37.64 8.51 2.3900 -1 2 5 37.71 1.76 2.3856 -2 0 6 39.28 4.73 2.2938 1 2 5 41.55 4.26 2.1734 2 0 6 41.89 10.22 2.1567 -1 2 7 42.38 3.58 2.1330 -2 0 8 43.99 2.88 2.0585 1 2 7 44.41 1.24 2.0399 -1 2 8 46.17 1.01 1.9663 -1 1 11 47.02 3.51 1.9324 2 0 8 47.16 4.73 1.9272 -1 2 9 47.73 1.11 1.9054 2 2 4 49.62 1.63 1.8373 1 2 9 52.46 1.51 1.7443 0 1 13 53.24 3.35 1.7206 -1 2 11 53.27 1.13 1.7196 2 0 10 54.34 1.73 1.6882 -2 0 12 55.99 1.95 1.6423 1 2 11 57.86 4.05 1.5936 -3 2 1 58.08 1.12 1.5882 3 2 0 58.29 2.09 1.5830 -3 2 3 58.58 2.44 1.5757 3 2 1 59.43 1.33 1.5553 1 2 12 60.00 1.57 1.5418 -1 2 13 60.18 1.39 1.5377 2 0 12 60.25 1.44 1.5360 0 4 1 60.67 2.50 1.5264 0 4 2 62.48 1.29 1.4864 -3 2 7 63.02 1.90 1.4750 1 2 13 66.13 1.04 1.4130 -3 2 9 70.67 1.18 1.3330 1 2 15 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.