{\rtf1\ansi\deff0{\fonttbl{\f0\fnil\fcharset0 Courier New;}} {\*\generator Msftedit 5.41.15.1507;}\viewkind4\uc1\pard\lang1033\f0\fs20 Bottinoite\par Diffraction data computed using the structure from the paper listed below,\\\\par\\par\par along with the cell parameters refined from the powder pattern of R060263\par Bonazzi P, Mazzi F\par American Mineralogist 81 (1996) 1494-1500\par Bottinoite, Ni(H2O)6[Sb(OH)6]2: Crystal structure, twinning and hydrogen-bond\par model\par Sample: BS2, synthetic\par Note: U(1,2) for Sb1 and Sb3 changed to match symmetry constraints.\par \par CELL PARAMETERS: 16.0600 16.0600 9.7920 90.000 90.000 120.000\par SPACE GROUP: P3 \par \par ATOM X Y Z OCCUPANCY ISO(B)\par Sb 0.00000 0.00000 0.00000 1.000 0.974\par Sb 0.66667 0.33333 -0.08830 1.000 0.684\par Sb 0.33333 0.66667 -0.00210 1.000 1.369\par Sb 0.00000 0.00000 0.49740 1.000 0.790\par Sb 0.66667 0.33333 0.41850 1.000 1.000\par Sb 0.33333 0.66667 0.49870 1.000 0.895\par Sb 0.32830 -0.00660 0.47040 1.000 0.965\par Sb 0.66780 0.00550 0.44960 1.000 0.754\par Ni 0.33790 0.00800 -0.03110 1.000 1.202\par Ni 0.66390 -0.00650 -0.05050 1.000 0.869\par O 0.03200 0.11700 -0.12000 1.000 2.334\par O 0.11400 0.08100 0.11200 1.000 2.272\par O 0.57900 0.22100 -0.20000 1.000 2.334\par O 0.69700 0.25400 0.02700 1.000 1.105\par O 0.30200 0.55400 0.11900 1.000 1.097\par O 0.36400 0.78300 -0.10900 1.000 1.246\par O 0.31500 0.09700 -0.15900 1.000 2.053\par O 0.42600 0.11600 0.09300 1.000 1.439\par O 0.45400 0.03600 -0.14700 1.000 1.913\par O 0.36300 -0.08500 0.08800 1.000 1.483\par O 0.25300 -0.10700 -0.15600 1.000 1.237\par O 0.21500 -0.02800 0.09100 1.000 2.062\par O 0.58200 0.02700 0.07000 1.000 2.193\par O 0.69300 0.11100 -0.16000 1.000 1.097\par O 0.78100 0.08100 0.07000 1.000 2.000\par O 0.75400 -0.03200 -0.17800 1.000 2.772\par O 0.63300 -0.12600 0.06700 1.000 2.044\par O 0.55300 -0.09100 -0.17200 1.000 2.377\par O 0.06400 0.11200 0.36600 1.000 1.869\par O 0.11500 0.04200 0.61100 1.000 1.588\par O 0.55000 0.26900 0.53500 1.000 0.491\par O 0.62300 0.22000 0.30200 1.000 1.430\par O 0.26300 0.55000 0.61500 1.000 0.886\par O 0.39500 0.77800 0.37700 1.000 1.807\par O 0.26000 0.03900 0.34400 1.000 1.667\par O 0.37800 0.11300 0.57800 1.000 0.790\par O 0.44700 0.06000 0.34700 1.000 1.325\par O 0.40000 -0.05000 0.58500 1.000 0.974\par O 0.28100 -0.12300 0.34600 1.000 0.974\par O 0.21100 -0.07400 0.58100 1.000 1.114\par O 0.61800 0.07400 0.56700 1.000 1.026\par O 0.73200 0.11600 0.32600 1.000 1.667\par O 0.77900 0.05500 0.56200 1.000 1.369\par O 0.70700 -0.06700 0.33000 1.000 2.123\par O 0.60700 -0.10800 0.56700 1.000 0.851\par O 0.55100 -0.04000 0.33700 1.000 1.404\par \par X-RAY WAVELENGTH: 1.541838\par BOUNDS ON TWO THETA: 5.0 90.0\par LIMITS IMPOSED ON THE INDICES ARE: +/- 12 +/- 12 +/- 8\par MAX. ABS. INTENSITY / VOLUME**2: 53.00923919 \par The INTENSITY cut off value is 1.00\par \par 2-THETA INTENSITY D-SPACING H K L\par 9.03 4.83 9.7920 0 0 1\par 11.02 2.47 8.0300 1 1 0\par 14.26 1.65 6.2092 1 1 1\par 14.26 1.14 6.2092 2 -1 1\par 18.12 33.02 4.8960 0 0 2\par 19.14 100.00 4.6361 3 0 0\par 19.22 1.55 4.6182 0 1 2\par 19.22 1.76 4.6182 1 0 2\par 21.20 2.53 4.1902 0 3 1\par 21.20 2.38 4.1902 3 0 1\par 21.25 1.08 4.1803 2 -1 2\par 22.21 1.03 4.0034 0 2 2\par 22.21 1.08 4.0034 2 0 2\par 26.48 31.01 3.3664 0 3 2\par 26.48 35.02 3.3664 3 0 2\par 33.48 7.64 2.6767 3 3 0\par 34.74 4.07 2.5819 6 -3 1\par 34.78 1.05 2.5796 1 4 2\par 34.78 1.72 2.5796 -1 5 2\par 34.78 3.44 2.5796 5 -1 2\par 38.32 7.32 2.3486 6 -3 2\par 38.32 14.95 2.3486 3 3 2\par 38.85 5.09 2.3181 6 0 0\par 41.72 5.17 2.1648 0 3 4\par 41.72 5.29 2.1648 3 0 4\par 43.18 6.32 2.0951 0 6 2\par 43.18 8.59 2.0951 6 0 2\par 43.74 1.64 2.0697 6 -3 3\par 44.70 1.20 2.0272 5 2 2\par 50.52 6.07 1.8064 3 3 4\par 50.52 5.59 1.8064 6 -3 4\par 52.20 6.26 1.7523 3 6 0\par 52.20 5.93 1.7523 6 3 0\par 54.52 4.37 1.6832 0 6 4\par 54.52 4.50 1.6832 6 0 4\par 55.72 3.13 1.6498 -3 9 2\par 55.72 3.54 1.6498 3 6 2\par 55.72 3.69 1.6498 6 3 2\par 55.72 3.48 1.6498 9 -3 2\par 59.85 3.16 1.5454 9 0 0\par 60.10 1.02 1.5394 0 3 6\par 63.08 2.11 1.4737 0 9 2\par 63.08 2.16 1.4737 9 0 2\par 65.51 1.02 1.4249 3 6 4\par 65.51 1.03 1.4249 -3 9 4\par 65.51 1.06 1.4249 6 3 4\par 70.34 2.89 1.3383 6 6 0\par 73.33 1.61 1.2910 12 -6 2\par 73.33 1.15 1.2910 6 6 2\par 73.68 1.71 1.2858 3 9 0\par 73.68 1.64 1.2858 9 3 0\par 76.62 1.23 1.2437 -3 12 2\par 76.62 1.08 1.2437 3 9 2\par 76.62 1.15 1.2437 12 -3 2\par 79.15 1.07 1.2100 1 1 8\par ================================================================================\par XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs\par For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.\par \par }