Cernyite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070179 Szymanski J T The Canadian Mineralogist 16 (1978) 147-151 The crystal structure of cernyite, Cu2CdSnS4, a cadmium analogue of stannite Note: z-coordinate for S atom changed in order to reproduce bond lengths. CELL PARAMETERS: 5.4710 5.4710 10.8290 90.000 90.000 90.000 SPACE GROUP: I-42m ATOM X Y Z OCCUPANCY ISO(B) Cd 0.00000 0.00000 0.00000 0.370 1.276 Zn 0.00000 0.00000 0.00000 0.330 1.276 Fe 0.00000 0.00000 0.00000 0.290 1.276 Mn 0.00000 0.00000 0.00000 0.010 1.276 Sn 0.50000 0.50000 0.00000 1.000 0.850 Cu 0.00000 0.50000 0.25000 1.000 1.640 S 0.75000 0.75000 0.86840 1.000 1.158 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 153.1511499 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 16.37 2.03 5.4145 0 0 2 18.17 2.78 4.8832 1 0 1 22.99 2.74 3.8686 1 1 0 28.35 100.00 3.1477 1 1 2 32.74 10.70 2.7355 2 0 0 33.09 5.29 2.7073 0 0 4 36.81 2.19 2.4416 2 0 2 40.68 1.36 2.2181 1 1 4 46.98 17.74 1.9343 2 2 0 47.24 34.56 1.9242 2 0 4 55.78 23.46 1.6480 3 1 2 56.24 11.31 1.6356 1 1 6 58.66 3.46 1.5738 2 2 4 68.62 4.54 1.3678 4 0 0 69.43 2.11 1.3536 0 0 8 75.84 3.80 1.2544 3 3 2 76.23 7.41 1.2489 3 1 6 78.13 1.13 1.2234 4 2 0 78.32 1.14 1.2208 4 0 4 78.90 1.17 1.2132 2 0 8 87.50 7.97 1.1148 4 2 4 88.07 3.82 1.1090 2 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.