Christelite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data for R060792 Adiwidjaja G, Friese K, Klaska K H, Schluter J Zeitschrift fur Kristallographie 211 (1996) 518-521 The crystal structure of christelite Zn3Cu2(SO4)2(OH)6*4(H2O) Locality: San Francisco mine, Sierra Gorda, northeast of Antofagasta, Chile Note: anisoU's from ICSD CELL PARAMETERS: 5.4143 6.3360 10.4700 94.320 90.060 90.270 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Zn 0.00000 0.00000 0.00000 1.000 1.145 Zn 0.51228 0.24973 0.49511 1.000 1.003 Cu 0.00000 0.00000 0.50000 1.000 0.869 Cu 0.00000 0.50000 0.50000 1.000 0.916 S 0.77710 0.70400 0.22146 1.000 0.995 O 0.79470 0.72890 0.36370 1.000 1.113 O 0.52060 0.65510 0.18540 1.000 2.171 O 0.93700 0.52940 0.17290 1.000 1.942 O 0.85900 0.90340 0.17220 1.000 2.124 O 0.68070 0.00260 0.58890 1.000 0.900 O 0.68290 0.51530 0.58720 1.000 0.987 O 0.13810 0.76410 0.58880 1.000 1.003 O 0.72460 0.22670 0.01600 1.000 1.358 O 0.24690 0.18900 0.11790 1.000 1.911 H 0.24200 0.69000 -0.05600 1.000 3.948 H 0.34400 0.73100 0.05200 1.000 3.948 H 0.21700 0.31200 0.14600 1.000 3.948 H 0.41000 0.19500 0.09800 1.000 3.948 H 0.12300 0.77200 0.66600 1.000 3.948 H 0.68700 0.00600 0.67700 1.000 3.948 H 0.69700 0.51700 0.68000 1.000 3.948 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 5 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 35.73403364 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.47 100.00 10.4402 0 0 1 14.02 1.45 6.3179 0 1 0 16.37 5.69 5.4142 1 0 0 16.94 14.79 5.2334 0 1 1 16.99 53.33 5.2201 0 0 2 18.47 13.66 4.8036 1 0 1 21.25 2.36 4.1819 0 -1 2 21.56 7.93 4.1210 -1 1 0 22.82 1.26 3.8977 1 -1 1 22.90 1.61 3.8840 -1 -1 1 22.90 6.19 3.8831 0 1 2 23.59 3.42 3.7717 -1 1 1 23.69 1.23 3.7553 1 0 2 25.60 17.62 3.4801 0 0 3 26.91 1.17 3.3129 1 -1 2 26.97 8.37 3.3063 -1 -1 2 28.33 9.47 3.1502 0 -1 3 28.34 6.20 3.1495 1 1 2 28.91 1.05 3.0888 0 -2 1 30.52 2.90 2.9294 -1 0 3 31.99 1.72 2.7976 0 -2 2 32.75 10.56 2.7342 -1 2 0 32.89 14.43 2.7228 1 2 0 32.91 2.03 2.7215 -1 -1 3 33.09 3.67 2.7071 2 0 0 33.33 5.55 2.6878 1 -2 1 34.21 10.15 2.6214 -2 0 1 34.36 7.39 2.6101 0 0 4 34.59 5.21 2.5934 1 2 1 34.63 1.94 2.5905 1 1 3 36.09 15.54 2.4890 1 -2 2 36.19 1.65 2.4819 -1 -2 2 37.40 10.77 2.4046 -2 0 2 37.44 5.91 2.4018 2 0 2 38.13 4.47 2.3603 -1 2 2 38.27 15.27 2.3517 1 2 2 40.63 5.78 2.2207 1 -2 3 40.71 1.32 2.2166 2 1 2 40.71 1.87 2.2162 -1 -2 3 42.27 5.37 2.1382 -2 0 3 42.33 1.98 2.1353 2 0 3 43.39 2.94 2.0857 -1 2 3 43.53 3.85 2.0792 1 2 3 43.94 1.41 2.0605 -2 2 0 44.16 1.05 2.0507 2 2 0 44.40 1.09 2.0402 2 -2 1 45.27 1.11 2.0033 -2 2 1 45.52 1.49 1.9929 2 1 3 46.53 6.54 1.9519 1 -2 4 46.60 5.41 1.9492 -1 -2 4 48.32 1.14 1.8837 1 -3 2 48.41 6.84 1.8803 -2 0 4 48.48 2.12 1.8776 2 0 4 49.83 1.80 1.8299 -1 2 4 49.97 6.22 1.8253 1 2 4 52.60 2.86 1.7400 0 0 6 53.47 2.62 1.7137 1 -2 5 55.54 1.39 1.6545 -2 0 5 55.63 1.66 1.6522 2 0 5 57.34 1.25 1.6068 1 2 5 58.43 4.16 1.5795 0 4 0 58.43 2.58 1.5794 0 -4 1 58.80 4.04 1.5703 -3 2 0 59.07 3.41 1.5638 3 2 0 59.18 1.04 1.5612 3 -2 1 59.43 2.30 1.5554 -3 -2 1 59.88 1.80 1.5446 -3 2 1 59.89 2.14 1.5444 0 -4 2 61.00 1.65 1.5190 3 -2 2 61.21 1.92 1.5141 -3 -2 2 61.27 1.58 1.5128 1 -2 6 61.31 3.64 1.5119 -1 -2 6 62.37 1.20 1.4889 -3 2 2 62.67 1.62 1.4824 3 2 2 62.73 2.31 1.4812 0 4 2 63.52 1.75 1.4647 -2 0 6 63.61 2.79 1.4628 2 0 6 65.41 3.53 1.4269 -1 2 6 65.53 1.03 1.4244 1 2 6 66.89 1.50 1.3988 0 -4 4 69.44 1.58 1.3536 4 0 0 69.98 1.04 1.3444 -2 4 1 70.30 1.76 1.3390 -2 -4 2 71.19 1.04 1.3245 -3 2 4 72.11 1.13 1.3098 4 0 2 72.61 1.05 1.3021 -2 4 2 79.87 1.22 1.2009 4 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.