Wickmanite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100017 Basciano L C, Peterson R C, Roeder P L The Canadian Mineralogist 36 (1998) 1203-1210 Description of schoenfliesite, MgSn(OH)6, and roxbyite, Cu1.72S, from a 1375 BC shipwreck, and rietveld neutron-diffraction refinement of synthetic schoenfliesite, wickmanite, MnSn(OH)6, and burtite, CaSn(OH)6 Locality: a 1375 BC shipwreck CELL PARAMETERS: 7.9040 7.9040 7.9040 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: Pn3 ATOM X Y Z OCCUPANCY ISO(B) Mn 0.00000 0.00000 0.00000 1.000 0.700 Sn 0.50000 0.50000 0.50000 1.000 1.000 H -0.07810 0.20200 0.23400 0.500 1.000 H -0.20100 0.06900 0.27000 0.500 1.000 O -0.06430 0.07550 0.25860 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 89.07771408 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 19.45 24.84 4.5634 1 1 1 22.50 100.00 3.9520 2 0 0 32.03 50.35 2.7945 2 2 0 35.93 6.63 2.4995 3 0 1 35.93 1.85 2.4995 3 1 0 37.75 10.22 2.3831 3 1 1 39.49 17.07 2.2817 2 2 2 42.81 3.46 2.1124 3 1 2 45.93 15.51 1.9760 4 0 0 50.32 4.48 1.8133 3 3 1 51.72 18.99 1.7674 4 0 2 51.72 22.51 1.7674 4 2 0 57.09 28.40 1.6134 4 2 2 60.90 2.91 1.5211 5 1 1 66.97 6.09 1.3972 4 4 0 70.48 1.66 1.3360 5 1 3 70.48 1.78 1.3360 5 3 1 71.64 1.01 1.3173 6 0 0 71.64 9.96 1.3173 4 4 2 76.18 4.20 1.2497 6 2 0 76.18 3.83 1.2497 6 0 2 79.52 1.11 1.2053 5 3 3 80.63 8.59 1.1916 6 2 2 85.02 2.06 1.1408 4 4 4 89.39 2.24 1.0961 6 4 0 89.39 2.40 1.0961 6 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.