Valentinite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120096 Svensson C Acta Crystallographica B30 (1974) 458-461 The crystal structure of orthorhombic antimony trioxide, Sb2O3 Locality: synthetic _database_code_amcsd 0009500 CELL PARAMETERS: 4.9200 12.4840 5.4185 90.000 90.000 90.000 SPACE GROUP: Pccn ATOM X Y Z OCCUPANCY ISO(B) Sb 0.04149 0.12745 0.17845 1.000 0.998 O 0.25000 0.25000 0.02290 1.000 1.275 O 0.15200 0.05910 -0.14460 1.000 1.030 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 11 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 172.4118062 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 19.39 18.06 4.5774 1 1 0 25.47 22.73 3.4967 1 1 1 28.08 3.26 3.1773 1 3 0 28.37 100.00 3.1460 1 2 1 28.60 29.99 3.1210 0 4 0 32.67 8.28 2.7408 1 3 1 33.06 8.38 2.7092 0 0 2 33.86 12.78 2.6476 0 1 2 36.53 10.30 2.4600 2 0 0 39.70 4.37 2.2705 0 3 2 40.93 2.52 2.2048 2 1 1 42.90 3.17 2.1083 2 2 1 43.92 1.51 2.0615 1 3 2 43.97 3.37 2.0594 1 5 1 44.27 9.30 2.0459 0 4 2 46.02 4.96 1.9724 2 3 1 47.03 14.40 1.9320 2 4 0 48.17 1.14 1.8891 1 4 2 49.65 6.65 1.8360 0 5 2 50.09 4.67 1.8212 2 0 2 50.52 21.83 1.8067 1 6 1 50.65 6.14 1.8022 2 1 2 54.63 10.32 1.6801 1 1 3 55.04 5.08 1.6684 2 3 2 55.08 1.42 1.6673 2 5 1 56.60 1.92 1.6260 3 1 0 57.54 1.46 1.6017 1 7 1 58.69 3.77 1.5730 2 4 2 58.81 7.09 1.5702 1 3 3 59.21 3.38 1.5605 0 8 0 60.70 2.18 1.5258 3 3 0 60.85 6.77 1.5223 3 2 1 62.33 2.02 1.4896 0 7 2 63.19 3.04 1.4714 2 5 2 65.88 3.18 1.4178 2 2 3 66.66 1.33 1.4030 3 0 2 66.68 4.03 1.4027 1 5 3 67.08 1.73 1.3952 2 7 1 67.14 1.33 1.3942 3 1 2 68.44 1.45 1.3707 3 5 0 69.52 1.32 1.3522 0 8 2 69.84 1.87 1.3467 0 1 4 71.61 2.85 1.3177 2 8 0 73.52 1.50 1.2881 0 3 4 74.09 2.28 1.2796 3 4 2 74.46 1.10 1.2742 2 7 2 75.94 2.19 1.2531 3 6 1 77.27 1.34 1.2347 0 9 2 77.71 2.91 1.2288 1 7 3 80.43 1.87 1.1940 4 1 1 80.70 1.76 1.1907 0 5 4 81.17 1.83 1.1850 2 8 2 81.48 2.13 1.1813 2 1 4 81.50 4.10 1.1810 1 10 1 82.82 1.50 1.1656 3 3 3 83.96 1.48 1.1526 4 3 1 85.00 1.45 1.1411 2 3 4 88.63 1.14 1.1035 2 9 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.