Buttgenbachite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R090013 Hibbs D E, Leverett P, Williams P A Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 225-240 Buttgenbachite from Bisbee, Arizona, USA: A single-crystal X-ray study Locality: Bisbee, Arizona, USA CELL PARAMETERS: 15.8030 15.8030 9.1190 90.000 90.000 120.000 SPACE GROUP: P6_3/mmc ATOM X Y Z OCCUPANCY ISO(B) Cu 0.50000 0.00000 0.00000 1.000 0.869 Cu 0.20140 0.00000 0.00000 1.000 0.869 Cu 0.33570 0.16785 0.75000 1.000 0.790 Cu 0.35860 0.01650 0.25000 1.000 0.790 Cl 0.27680 0.13840 0.25000 1.000 1.105 Cl 0.00000 0.00000 0.00000 0.500 1.184 OH 0.45010 0.36990 0.09120 1.000 0.947 OH 0.07530 -0.07530 0.09910 1.000 1.658 OH 0.67370 0.74410 0.10970 1.000 0.947 OH 0.44230 0.55770 0.25000 1.000 0.711 N 0.66667 0.33333 0.25000 0.500 1.026 Cl 0.66667 0.33333 0.25000 0.500 1.026 O 0.62160 0.37840 0.25000 1.000 0.869 Wa 0.51000 0.25520 0.80700 0.100 0.869 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 12 +/- 12 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 34.28250851 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.46 90.34 13.6858 1 0 0 11.20 100.00 7.9015 1 1 0 12.94 3.12 6.8429 2 0 0 16.19 16.15 5.4733 2 0 1 17.14 27.21 5.1727 2 1 0 19.46 11.07 4.5619 3 0 0 20.53 12.27 4.3258 1 0 2 22.50 1.15 3.9508 2 2 0 22.51 3.28 3.9492 1 1 2 23.44 1.37 3.7958 3 1 0 23.45 17.73 3.7944 2 0 2 26.05 16.91 3.4204 2 1 2 27.66 24.23 3.2249 3 0 2 27.85 12.89 3.2034 4 0 1 29.93 1.04 2.9858 2 2 2 30.10 1.86 2.9687 3 2 1 30.65 1.72 2.9172 3 1 2 31.52 1.42 2.8382 4 1 1 32.72 4.67 2.7372 5 0 0 32.72 42.57 2.7366 4 0 2 34.20 4.49 2.6216 5 0 1 34.22 4.06 2.6207 2 1 3 34.69 14.75 2.5859 3 2 2 35.95 27.31 2.4983 4 1 2 36.56 3.01 2.4580 5 1 0 37.91 6.48 2.3733 5 1 1 38.36 2.48 2.3468 5 0 2 39.51 16.72 2.2810 6 0 0 39.51 22.57 2.2807 3 3 2 39.53 11.02 2.2798 0 0 4 39.66 3.07 2.2724 4 0 3 40.08 3.55 2.2499 4 3 0 40.08 10.99 2.2496 4 2 2 41.19 4.39 2.1915 5 2 0 41.21 2.74 2.1904 1 1 4 41.33 1.03 2.1844 4 3 1 41.34 3.08 2.1839 3 2 3 43.38 4.69 2.0861 2 1 4 44.54 2.47 2.0340 5 0 3 45.94 2.35 1.9754 4 4 0 45.95 1.23 1.9752 5 2 2 45.96 1.26 1.9746 2 2 4 46.08 3.83 1.9698 4 2 3 46.45 1.85 1.9551 7 0 0 47.57 1.45 1.9117 5 3 1 47.95 1.64 1.8972 4 0 4 50.34 4.33 1.8127 7 1 0 50.81 4.93 1.7969 5 3 2 51.40 1.62 1.7777 5 2 3 52.20 1.36 1.7523 5 4 0 52.22 7.91 1.7517 5 0 4 54.91 1.59 1.6720 7 2 0 54.93 1.68 1.6715 5 1 4 55.92 2.33 1.6443 5 3 3 57.11 1.76 1.6128 6 3 2 57.12 18.04 1.6125 6 0 4 57.24 1.52 1.6094 4 0 5 57.55 6.04 1.6014 4 3 4 58.40 1.48 1.5803 5 5 0 58.41 7.35 1.5799 5 2 4 58.82 2.63 1.5699 6 4 0 58.83 1.85 1.5698 7 2 2 59.77 3.08 1.5471 6 4 1 60.09 2.02 1.5398 7 3 0 62.17 2.63 1.4932 5 5 2 62.58 10.72 1.4843 6 4 2 63.83 1.11 1.4582 2 1 6 64.64 2.27 1.4419 3 0 6 65.01 1.41 1.4347 6 5 0 65.81 1.21 1.4192 7 4 0 65.82 2.63 1.4189 7 1 4 65.92 1.19 1.4171 8 1 3 67.10 2.27 1.3948 6 4 3 67.43 5.59 1.3890 4 0 6 68.57 1.18 1.3685 9 1 2 68.58 1.12 1.3683 8 0 4 68.60 1.37 1.3680 3 2 6 69.38 2.38 1.3545 4 1 6 69.45 2.31 1.3534 10 0 1 70.90 2.82 1.3292 8 3 2 71.66 1.26 1.3169 6 6 0 71.70 1.93 1.3164 3 3 6 72.05 6.13 1.3108 10 0 2 72.08 1.88 1.3103 4 2 6 74.34 1.01 1.2760 7 3 4 76.31 1.09 1.2479 10 0 3 78.44 1.48 1.2192 9 3 2 79.65 1.23 1.2037 7 5 3 80.77 1.24 1.1898 6 4 5 85.07 1.43 1.1403 6 6 4 85.11 1.52 1.1399 0 0 8 89.82 1.58 1.0919 6 4 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.