{\rtf1\ansi\deff0{\fonttbl{\f0\fnil\fcharset0 Courier New;}} {\*\generator Msftedit 5.41.15.1507;}\viewkind4\uc1\pard\lang1033\f0\fs20 Kesterite\par Diffraction data computed using the structure from the paper listed below, \par along with the cell parameters refined from the powder pattern of R060870\par Hall S R, Szymanski J T, Stewart J M\par The Canadian Mineralogist 16 (1978) 131-137\par Kesterite, Cu2(Zn,Fe)SnS4, and stannite, Cu2(Fe,Zn)SnS4,\par structurally similar but distinct minerals\par \par CELL PARAMETERS: 5.4270 5.4270 10.8710 90.000 90.000 90.000\par SPACE GROUP: I-4 \par \par ATOM X Y Z OCCUPANCY ISO(B)\par Cu 0.00000 0.00000 0.00000 1.000 1.474\par Sn 0.50000 0.50000 0.00000 1.000 0.650\par Cu 0.00000 0.50000 0.25000 1.000 1.290\par Zn 0.50000 0.00000 0.25000 0.710 1.171\par Fe 0.50000 0.00000 0.25000 0.280 1.171\par Cd 0.50000 0.00000 0.25000 0.010 1.171\par S 0.75600 0.75660 0.87220 1.000 0.845\par \par X-RAY WAVELENGTH: 1.541838\par BOUNDS ON TWO THETA: 5.0 90.0\par LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 4 +/- 9\par MAX. ABS. INTENSITY / VOLUME**2: 145.1033554 \par The INTENSITY cut off value is 1.00\par \par 2-THETA INTENSITY D-SPACING H K L\par 16.31 1.61 5.4355 0 0 2\par 18.27 5.18 4.8556 1 0 1\par 23.18 1.76 3.8375 1 1 0\par 28.47 100.00 3.1349 1 1 2\par 29.64 2.20 3.0136 1 0 3\par 32.96 4.94 2.7178 0 0 4\par 33.01 9.84 2.7135 2 0 0\par 37.03 1.23 2.4278 2 0 2\par 37.99 1.13 2.3687 2 1 1\par 37.99 1.17 2.3687 1 2 1\par 47.34 36.01 1.9202 2 0 4\par 47.38 17.95 1.9187 2 2 0\par 56.14 11.91 1.6384 1 1 6\par 56.21 11.85 1.6365 3 1 2\par 56.21 11.85 1.6365 1 3 2\par 58.92 3.25 1.5675 2 2 4\par 69.13 2.37 1.3589 0 0 8\par 69.25 4.69 1.3568 4 0 0\par 76.45 3.94 1.2460 3 1 6\par 76.45 3.94 1.2460 1 3 6\par 76.51 3.92 1.2451 3 3 2\par 78.76 1.08 1.2150 2 0 8\par 78.85 1.08 1.2139 4 0 4\par 88.08 4.33 1.1089 2 2 8\par 88.17 4.31 1.1081 2 4 4\par 88.17 4.31 1.1081 4 2 4\par ================================================================================\par XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs\par For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.\par \par }