Ktenasite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070081 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: 5.6050 6.1320 23.8000 90.000 95.290 90.000 SPACE GROUP: P2_1/c ATOM X Y Z OCCUPANCY ISO(B) Cu -0.01060 0.09950 0.24900 0.450 1.624 Zn -0.01060 0.09950 0.24900 0.550 1.624 Cu 0.49900 -0.15080 0.24700 0.750 1.826 Zn 0.49900 -0.15080 0.24700 0.250 1.826 Zn 0.00000 0.00000 0.00000 1.000 1.912 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 1.225 Oh 0.83960 0.35560 0.28960 1.000 1.209 Oh 0.16350 0.34400 0.21490 1.000 1.250 O 0.12640 -0.00710 0.39270 1.000 1.949 O 0.44090 0.25940 0.40180 1.000 2.419 O 0.53850 -0.11610 0.38590 1.000 1.923 Ow 0.91630 0.06260 0.08270 1.000 1.996 Ow 0.32810 0.16170 0.01890 1.000 2.086 Ow 0.14360 -0.28900 0.02900 1.000 2.044 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: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 21 MAX. ABS. INTENSITY / VOLUME**2: 42.05399710 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.46 100.00 11.8493 0 0 2 14.95 41.25 5.9247 0 0 4 16.28 1.04 5.4460 0 1 2 18.18 9.16 4.8787 1 0 2 18.32 16.04 4.8439 0 1 3 20.84 5.13 4.2634 -1 0 4 21.60 9.28 4.1140 -1 1 1 22.11 2.01 4.0202 1 1 1 22.51 11.97 3.9498 0 0 6 22.88 3.57 3.8875 1 0 4 23.63 1.72 3.7651 -1 1 3 23.73 9.49 3.7501 0 1 5 26.42 4.00 3.3741 -1 0 6 27.67 1.24 3.2234 -1 1 5 28.87 1.04 3.0924 1 0 6 29.13 1.08 3.0660 0 2 0 30.17 13.80 2.9623 0 0 8 32.07 8.52 2.7906 2 0 0 33.06 1.10 2.7098 -1 1 7 33.34 3.45 2.6872 1 2 0 33.39 6.98 2.6835 -1 2 1 33.67 4.69 2.6620 2 0 2 33.73 3.78 2.6569 1 2 1 34.23 1.04 2.6194 -2 0 4 34.55 1.60 2.5959 1 2 2 34.78 12.47 2.5792 -1 2 3 35.34 1.95 2.5399 2 1 0 35.42 1.19 2.5343 1 1 7 35.87 1.51 2.5033 2 1 1 36.08 1.36 2.4892 -1 2 4 36.10 1.03 2.4884 -1 1 8 36.85 8.11 2.4393 2 0 4 37.35 1.58 2.4074 1 2 4 37.72 1.75 2.3851 -2 0 6 37.74 8.40 2.3835 -1 2 5 39.27 4.71 2.2944 1 2 5 41.30 4.33 2.1861 2 0 6 41.99 10.08 2.1518 -1 2 7 42.40 3.55 2.1317 -2 0 8 43.94 2.88 2.0607 1 2 7 44.50 1.22 2.0358 -1 2 8 46.18 1.00 1.9657 -1 1 11 46.73 3.58 1.9438 2 0 8 47.24 4.68 1.9239 -1 2 9 47.64 1.11 1.9089 2 2 4 49.53 1.63 1.8404 1 2 9 52.36 1.51 1.7474 0 1 13 52.95 1.15 1.7294 2 0 10 53.31 3.32 1.7185 -1 2 11 54.38 1.71 1.6870 -2 0 12 55.87 1.95 1.6456 1 2 11 57.79 4.05 1.5953 -3 2 1 57.99 1.12 1.5905 3 2 0 58.27 2.08 1.5835 -3 2 3 58.46 2.45 1.5786 3 2 1 59.29 1.33 1.5587 1 2 12 59.81 1.41 1.5462 2 0 12 60.05 1.56 1.5407 -1 2 13 60.52 1.41 1.5298 0 4 1 60.94 2.44 1.5203 0 4 2 62.53 1.28 1.4853 -3 2 7 62.86 1.91 1.4784 1 2 13 66.21 1.03 1.4115 -3 2 9 70.47 1.19 1.3363 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.