Sulvanite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060853 Trojer F J American Mineralogist 51 (1966) 890-894 Refinement of the structure of sulvanite Note: symmetry constraints on B(i,j) reported incorrectly CELL PARAMETERS: 5.3040 5.3040 5.3040 90.000 90.000 90.000 SPACE GROUP: P-43m ATOM X Y Z OCCUPANCY ISO(B) Cu 0.50000 0.00000 0.00000 1.000 1.219 V 0.00000 0.00000 0.00000 1.000 0.405 S 0.23720 0.23720 0.23720 1.000 0.990 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 4 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 67.27847800 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 16.71 100.00 5.3040 1 0 0 23.72 1.27 3.7505 1 1 0 29.16 78.92 3.0623 1 1 1 33.80 15.05 2.6520 2 0 0 37.93 31.87 2.3720 2 1 0 41.71 1.47 2.1653 2 1 1 48.55 86.32 1.8752 2 2 0 51.70 1.93 1.7680 3 0 0 51.70 16.19 1.7680 2 2 1 57.64 24.86 1.5992 3 1 1 60.46 3.23 1.5311 2 2 2 63.21 10.43 1.4711 3 2 0 71.10 10.69 1.3260 4 0 0 73.64 4.45 1.2864 4 1 0 73.64 2.11 1.2864 3 2 2 78.63 7.71 1.2168 3 3 1 81.08 3.07 1.1860 4 2 0 83.53 4.16 1.1574 4 2 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.