Serpierite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060475 Sabelli C, Zanazzi P F Acta Crystallographica B24 (1968) 1214-1221 The crystal structure of serpierite Locality: Laurion mine, Greece _database_code_amcsd 0009345 CELL PARAMETERS: 22.2000 6.2460 21.8690 90.000 113.210 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Ca 0.24230 0.91530 0.14790 1.000 1.400 Cu 0.00100 0.25720 0.00290 0.660 1.720 Zn 0.00100 0.25720 0.00290 0.340 1.720 Cu 0.99570 0.00420 0.12410 0.660 1.970 Zn 0.99570 0.00420 0.12410 0.340 1.970 Cu 0.99660 0.50640 0.12400 0.660 1.920 Zn 0.99660 0.50640 0.12400 0.340 1.920 Cu 0.00000 0.75610 0.25000 0.660 1.700 Zn 0.00000 0.75610 0.25000 0.340 1.700 Cu 0.00000 0.25770 0.25000 0.660 2.050 Zn 0.00000 0.25770 0.25000 0.340 2.050 S 0.15030 0.19580 0.22690 1.000 1.290 S 0.35260 0.30270 0.01020 1.000 1.480 O 0.32920 0.63100 0.20200 1.000 1.840 O 0.16240 0.01100 0.18950 1.000 2.600 O 0.08110 0.25150 0.19750 1.000 2.870 O 0.19360 0.37080 0.23030 1.000 2.730 O 0.42370 0.27280 0.04020 1.000 2.010 O 0.16270 0.05080 0.05180 1.000 2.460 O 0.18080 0.39420 0.00800 1.000 3.850 O 0.33380 0.41900 0.05930 1.000 2.950 Wa 0.18360 0.59680 0.11970 1.000 1.810 Wa 0.29840 0.82220 0.07620 1.000 3.410 Wa 0.30870 0.22420 0.15780 1.000 3.580 OH 0.04050 -0.00340 0.06460 1.000 1.190 OH 0.04240 0.51580 0.06330 1.000 0.950 OH 0.04180 0.76630 0.17800 1.000 1.610 OH 0.45120 0.77230 0.07350 1.000 1.740 OH 0.45550 0.52200 0.18920 1.000 1.370 OH 0.45430 -0.00620 0.18900 1.000 1.390 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 18 +/- 5 +/- 18 MAX. ABS. INTENSITY / VOLUME**2: 43.27323715 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.67 100.00 10.2016 2 0 0 15.96 3.36 5.5528 1 1 1 17.39 34.26 5.1008 4 0 0 18.13 1.23 4.8923 1 1 2 18.60 4.60 4.7694 -3 1 1 18.73 4.36 4.7379 -1 1 3 19.29 1.18 4.6003 3 1 0 19.30 2.28 4.5986 -4 0 4 20.30 2.49 4.3755 -3 1 3 22.60 1.02 3.9347 2 0 4 24.96 1.44 3.5680 -5 1 1 25.18 2.47 3.5365 -6 0 4 25.24 1.57 3.5288 -3 1 5 26.21 24.63 3.4005 6 0 0 26.26 1.69 3.3936 3 1 3 27.90 2.23 3.1981 5 1 1 28.15 4.18 3.1699 -5 1 5 28.15 4.45 3.1697 1 1 5 29.46 2.15 3.0318 4 0 4 32.95 6.55 2.7181 -4 0 8 33.08 5.56 2.7079 -2 2 4 33.19 1.13 2.6989 -2 0 8 33.79 18.15 2.6524 0 2 4 34.72 2.66 2.5835 -4 2 4 34.88 1.05 2.5723 4 2 1 35.06 8.23 2.5595 -6 0 8 35.19 1.44 2.5504 8 0 0 35.74 2.53 2.5124 0 0 8 36.74 15.01 2.4461 2 2 4 38.46 4.08 2.3409 -6 2 4 39.18 6.67 2.2993 -8 0 8 40.21 2.38 2.2429 2 0 8 41.28 1.15 2.1869 -4 0 10 41.51 11.26 2.1753 4 2 4 43.83 4.77 2.0656 -8 2 4 44.85 4.81 2.0208 -10 0 8 46.14 1.54 1.9674 4 0 8 47.67 6.95 1.9078 6 2 4 50.44 1.69 1.8093 -10 2 4 51.69 2.36 1.7683 -12 0 8 53.18 1.19 1.7222 6 0 8 53.93 1.54 1.7003 12 0 0 54.89 4.57 1.6728 8 2 4 58.02 3.29 1.5895 -12 2 4 58.77 3.41 1.5710 -4 2 12 58.93 4.99 1.5673 -6 2 12 59.17 1.39 1.5615 0 4 0 59.47 1.30 1.5542 -14 0 8 59.93 3.60 1.5435 2 4 0 60.14 1.50 1.5385 -2 2 12 60.59 1.31 1.5282 -8 2 12 61.14 1.58 1.5159 8 0 8 62.17 1.41 1.4931 4 4 0 62.97 1.93 1.4760 0 2 12 63.70 1.55 1.4609 -10 2 12 65.81 1.03 1.4190 6 4 0 66.46 1.86 1.4067 -14 2 4 70.67 1.01 1.3330 -6 4 8 73.28 1.26 1.2918 -8 4 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.