{\rtf1\ansi\deff0{\fonttbl{\f0\fnil\fcharset0 Courier New;}} {\*\generator Msftedit 5.41.15.1507;}\viewkind4\uc1\pard\lang1033\f0\fs20 Klebelsbergite\par Diffraction data computed using the structure from the paper listed below,\\par\par along with the cell parameters refined from the powder pattern of R060157\par Manchetti S, Sabelli C\par American Mineralogist 65 (1980) 931-935\par The crystal structure of klebelsbergite Sb4O4(OH)2SO4\par \par CELL PARAMETERS: 5.7660 11.2740 14.8870 90.000 90.000 90.000\par SPACE GROUP: Pca2_1 \par \par ATOM X Y Z OCCUPANCY ISO(B)\par Sb 0.47890 0.35960 0.25000 1.000 1.167\par Sb 0.39170 0.08740 0.09140 1.000 0.854\par Sb 0.15260 0.40780 0.43220 1.000 0.853\par Sb 0.04830 0.14120 0.26730 1.000 1.140\par S 0.67800 0.25950 0.50830 1.000 1.185\par O 0.85250 0.25050 0.43120 1.000 2.126\par O 0.64000 0.38770 0.52850 1.000 2.274\par O 0.46270 0.20260 0.48490 1.000 3.871\par O 0.77420 0.20150 0.58990 1.000 2.952\par O 0.28560 0.46270 0.18230 1.000 1.518\par O 0.30770 0.20260 0.18210 1.000 1.018\par O 0.42380 0.49190 0.36570 1.000 1.416\par O 0.11780 0.00690 0.16420 1.000 0.716\par O 0.27230 0.05150 0.34130 1.000 2.212\par O 0.19940 0.30880 0.32130 1.000 1.031\par H 0.30100 0.51300 0.12900 1.000 4.000\par H 0.33700 0.10100 0.38900 1.000 4.000\par \par X-RAY WAVELENGTH: 1.541838\par BOUNDS ON TWO THETA: 5.0 90.0\par LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 10 +/- 13\par MAX. ABS. INTENSITY / VOLUME**2: 73.38529453 \par The INTENSITY cut off value is 1.00\par \par 2-THETA INTENSITY D-SPACING H K L\par 11.89 7.21 7.4435 0 0 2\par 14.26 51.90 6.2117 0 1 2\par 17.27 14.46 5.1336 1 1 0\par 18.28 8.38 4.8531 1 1 1\par 21.02 7.63 4.2260 1 1 2\par 22.86 28.00 3.8907 1 2 1\par 23.91 4.77 3.7218 0 0 4\par 24.96 4.59 3.5679 1 1 3\par 25.12 14.97 3.5445 1 2 2\par 25.20 21.98 3.5342 0 1 4\par 28.35 21.75 3.1483 1 3 0\par 28.53 100.00 3.1287 1 2 3\par 28.74 8.33 3.1059 0 2 4\par 28.99 14.76 3.0802 1 3 1\par 30.84 5.70 2.8996 1 3 2\par 31.02 1.99 2.8830 2 0 0\par 31.61 12.45 2.8304 2 0 1\par 31.75 9.68 2.8185 0 4 0\par 32.75 10.71 2.7344 1 2 4\par 33.33 10.60 2.6884 2 0 2\par 34.01 4.70 2.6359 0 4 2\par 34.83 1.07 2.5756 1 1 5\par 35.49 1.52 2.5295 2 2 1\par 35.98 6.89 2.4963 1 4 1\par 36.03 1.04 2.4928 2 0 3\par 36.20 11.52 2.4812 0 0 6\par 36.93 19.90 2.4340 2 1 3\par 37.05 1.18 2.4266 2 2 2\par 37.52 2.41 2.3973 1 4 2\par 37.56 5.08 2.3949 1 2 5\par 39.54 6.56 2.2792 2 0 4\par 40.13 3.83 2.2469 0 4 4\par 40.38 3.01 2.2339 1 1 6\par 41.29 1.60 2.1865 2 3 2\par 41.75 1.65 2.1633 1 3 5\par 41.86 1.96 2.1580 0 5 2\par 43.21 7.00 2.0936 1 4 4\par 43.57 2.94 2.0773 2 3 3\par 43.70 1.11 2.0712 2 0 5\par 44.47 1.28 2.0371 2 1 5\par 44.98 4.10 2.0154 2 4 0\par 45.41 4.37 1.9972 2 4 1\par 46.20 5.61 1.9648 1 1 7\par 46.61 5.70 1.9487 1 3 6\par 46.69 6.60 1.9454 2 4 2\par 46.72 2.63 1.9441 2 2 5\par 47.11 4.31 1.9289 1 4 5\par 47.13 5.09 1.9285 0 5 4\par 48.02 2.39 1.8947 3 1 0\par 48.39 4.35 1.8810 1 2 7\par 48.40 3.63 1.8806 2 0 6\par 48.43 1.03 1.8795 3 1 1\par 48.91 11.54 1.8624 0 4 6\par 49.86 1.40 1.8289 1 5 4\par 50.07 6.36 1.8218 0 6 2\par 50.15 1.09 1.8192 3 2 0\par 50.30 1.45 1.8139 2 3 5\par 50.55 9.22 1.8057 3 2 1\par 51.52 3.68 1.7738 1 6 1\par 51.57 5.09 1.7722 2 4 4\par 51.73 1.25 1.7672 3 2 2\par 51.88 3.72 1.7623 1 3 7\par 53.39 1.50 1.7161 1 5 5\par 53.55 2.86 1.7114 2 0 7\par 53.55 1.72 1.7112 3 3 0\par 53.93 2.15 1.7000 3 3 1\par 54.30 1.23 1.6895 1 2 8\par 54.60 4.99 1.6809 1 6 3\par 54.72 1.56 1.6773 0 6 4\par 54.91 6.36 1.6722 2 5 3\par 55.02 1.57 1.6690 2 4 5\par 56.17 1.83 1.6376 2 2 7\par 56.29 1.86 1.6344 3 2 4\par 56.51 1.89 1.6285 1 4 7\par 57.67 1.92 1.5985 3 1 5\par 59.00 3.89 1.5654 2 6 1\par 59.05 1.84 1.5643 2 4 6\par 59.09 2.31 1.5635 2 0 8\par 59.53 1.30 1.5530 3 4 2\par 59.55 5.38 1.5523 3 2 5\par 60.43 1.92 1.5319 1 6 5\par 60.50 7.84 1.5303 1 2 9\par 61.29 2.78 1.5124 3 4 3\par 61.59 2.32 1.5058 3 1 6\par 61.88 1.12 1.4995 1 4 8\par 62.61 1.38 1.4836 3 3 5\par 62.98 2.22 1.4759 0 1 10\par 63.60 1.87 1.4629 2 4 7\par 64.25 1.11 1.4498 2 6 4\par 64.98 1.67 1.4353 3 5 2\par 65.59 1.55 1.4233 4 1 1\par 65.59 3.93 1.4233 2 1 9\par 66.01 1.88 1.4152 4 0 2\par 66.36 2.35 1.4087 3 3 6\par 66.60 1.73 1.4042 4 1 2\par 66.83 2.03 1.3998 2 7 1\par 67.01 1.36 1.3965 1 2 10\par 67.28 1.36 1.3916 2 6 5\par 67.79 1.99 1.3824 3 2 7\par 68.61 1.12 1.3679 1 6 7\par 68.65 1.60 1.3672 2 4 8\par 68.88 2.83 1.3632 1 8 1\par 69.86 1.08 1.3464 1 8 2\par 69.99 1.00 1.3442 4 0 4\par 70.22 1.09 1.3404 4 3 1\par 70.35 1.07 1.3382 3 6 1\par 71.33 1.20 1.3222 0 6 8\par 71.76 1.42 1.3153 1 7 6\par 75.11 1.33 1.2647 4 4 2\par 76.29 1.08 1.2482 2 8 2\par 76.61 1.87 1.2438 1 8 5\par 76.84 1.90 1.2406 0 0 12\par 78.02 1.04 1.2247 3 6 5\par 78.86 1.07 1.2138 1 6 9\par 79.12 1.50 1.2105 2 5 9\par 83.81 1.27 1.1542 1 3 12\par 88.20 1.79 1.1078 3 8 3\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 }