Cinnabar Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050072 Ramsdell L S American Mineralogist 10 (1925) 281-304 The crystal structures of some metallic sulfides CELL PARAMETERS: 4.1484 4.1484 9.4962 90.000 90.000 120.000 SPACE GROUP: P3_221 ATOM X Y Z OCCUPANCY ISO(B) Hg 0.33333 0.33333 0.00000 1.000 1.000 S 0.33333 0.33333 0.50000 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 3 +/- 3 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 423.4556860 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 26.53 76.25 3.3602 1 0 1 28.19 21.87 3.1654 0 0 3 31.22 100.00 2.8649 0 1 2 43.64 37.71 2.0742 1 1 0 45.81 32.40 1.9807 1 0 4 51.80 11.87 1.7650 0 2 1 52.76 22.38 1.7349 1 1 3 54.63 18.35 1.6801 2 0 2 54.66 9.99 1.6791 0 1 5 58.30 4.93 1.5827 0 0 6 65.12 10.19 1.4325 0 2 4 69.99 8.85 1.3442 2 1 1 72.38 14.37 1.3055 1 2 2 72.42 3.96 1.3051 2 0 5 74.81 3.57 1.2691 1 0 7 75.57 12.53 1.2582 1 1 6 80.14 5.24 1.1975 3 0 0 81.69 9.92 1.1787 2 1 4 86.31 4.28 1.1271 0 1 8 86.99 2.31 1.1201 3 0 3 86.99 2.31 1.1201 0 3 3 88.52 4.44 1.1046 1 2 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.