Clausthalite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070169 Noda Y, Masumoto K, Ohba S, Saito Y, Toriumi K, Iwata Y, Shibuya I Acta Crystallographica C43 (1987) 1443-1445 Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS, PbSe and PbTe Locality: synthetic Sample: T = 298 K _database_code_amcsd 0010048 CELL PARAMETERS: 6.1190 6.1190 6.1190 90.000 90.000 90.000 SPACE GROUP: Fm3m ATOM X Y Z OCCUPANCY ISO(B) Pb 0.00000 0.00000 0.00000 1.000 1.340 Se 0.50000 0.50000 0.50000 1.000 1.070 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 500.8117609 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 25.21 35.95 3.5328 1 1 1 29.19 100.00 3.0595 2 0 0 41.75 71.91 2.1634 2 2 0 49.40 16.51 1.8449 3 1 1 51.75 24.20 1.7664 2 2 2 60.52 10.68 1.5297 4 0 0 66.62 5.99 1.4038 3 3 1 68.59 27.69 1.3683 4 2 0 76.23 19.37 1.2490 4 2 2 81.79 3.03 1.1776 5 1 1 81.79 1.01 1.1776 3 3 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.