Valentinite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060516 Buerger M J American Mineralogist 21 (1936) 206-207 The crystal structure of valentinite CELL PARAMETERS: 4.9152 12.7500 5.4150 90.000 90.000 90.000 SPACE GROUP: Pccn ATOM X Y Z OCCUPANCY ISO(B) Sb 0.12150 0.20700 0.17500 1.000 1.000 O 0.25000 0.25000 -0.07500 1.000 1.000 O -0.11000 0.15600 0.17500 1.000 1.000 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: 341.6761353 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.89 100.00 6.3750 0 2 0 19.35 41.16 4.5862 1 1 0 25.45 1.29 3.4997 1 1 1 27.75 12.20 3.2149 1 3 0 27.99 3.57 3.1875 0 4 0 28.23 12.96 3.1607 1 2 1 32.39 4.06 2.7644 1 3 1 33.09 4.62 2.7075 0 0 2 33.85 14.61 2.6484 0 1 2 36.04 4.46 2.4921 0 2 2 37.51 13.03 2.3979 1 4 1 37.94 2.97 2.3715 1 0 2 38.62 2.87 2.3315 1 1 2 39.46 3.25 2.2835 0 3 2 39.83 1.22 2.2635 1 5 0 40.59 4.11 2.2227 1 2 2 43.33 2.26 2.0884 1 5 1 43.71 1.30 2.0709 1 3 2 45.82 5.07 1.9802 2 3 1 47.80 1.03 1.9027 1 4 2 49.68 5.04 1.8351 1 6 1 49.78 1.76 1.8316 2 4 1 54.56 7.14 1.6820 2 5 1 56.64 1.49 1.6250 3 1 0 58.66 2.78 1.5739 1 3 3 60.04 1.59 1.5410 2 6 1 63.75 1.23 1.4599 1 8 1 66.15 4.32 1.4127 2 7 1 66.22 2.57 1.4112 1 5 3 66.44 1.51 1.4071 3 4 1 68.54 1.29 1.3690 3 2 2 69.87 2.30 1.3462 0 1 4 71.25 2.53 1.3235 2 4 3 74.16 1.19 1.2786 1 2 4 75.32 1.06 1.2618 3 6 1 76.84 1.16 1.2406 1 7 3 79.91 2.83 1.2004 2 6 3 80.19 1.13 1.1970 2 9 1 87.52 1.58 1.1147 4 1 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.