Carrollite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040165 Williamson D P, Grimes N W Journal of Physics D: Applied Physics 7 (1974) 1-6 An X-ray diffraction investigation of sulphide spinels CELL PARAMETERS: 9.4784 9.4784 9.4784 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: Fd3m ATOM X Y Z OCCUPANCY ISO(B) Cu 0.12500 0.12500 0.12500 1.000 0.400 Co 0.50000 0.50000 0.50000 1.000 0.400 S 0.26300 0.26300 0.26300 1.000 0.400 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 70.86076327 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 16.20 15.73 5.4724 1 1 1 26.60 36.63 3.3511 2 2 0 31.30 100.00 2.8578 3 1 1 37.97 41.06 2.3696 4 0 0 46.96 11.88 1.9348 4 2 2 50.00 3.29 1.8241 3 3 3 50.00 46.78 1.8241 5 1 1 54.79 76.40 1.6756 4 4 0 57.53 2.02 1.6021 5 3 1 61.92 3.80 1.4987 6 2 0 64.46 10.95 1.4454 5 3 3 68.60 6.70 1.3681 4 4 4 71.02 2.83 1.3272 5 5 1 74.98 6.89 1.2666 6 4 2 77.33 10.03 1.2340 5 5 3 77.33 4.59 1.2340 7 3 1 81.18 9.63 1.1848 8 0 0 83.48 1.02 1.1580 7 3 3 87.28 1.74 1.1170 6 6 0 87.28 1.83 1.1170 8 2 2 89.56 3.72 1.0945 5 5 5 89.56 6.94 1.0945 7 5 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.