Carrollite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R0130024 Riedel E, Horvath E Materials Research Bulletin 8 (1973) 973-982 Kationen-anionen-abstande in kupfer- und chrom-thiospinellen _database_code_amcsd 0014234 CELL PARAMETERS: 9.4670 9.4670 9.4670 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 0.700 Co 0.50000 0.50000 0.50000 1.000 0.700 S 0.25700 0.25700 0.25700 1.000 1.000 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: 73.49297724 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 16.22 8.42 5.4658 1 1 1 26.63 32.55 3.3471 2 2 0 31.34 100.00 2.8544 3 1 1 38.02 40.06 2.3668 4 0 0 47.02 11.79 1.9324 4 2 2 50.07 5.14 1.8219 3 3 3 50.07 34.39 1.8219 5 1 1 54.86 72.74 1.6735 4 4 0 57.60 1.07 1.6002 5 3 1 62.00 4.28 1.4969 6 2 0 64.55 9.85 1.4437 5 3 3 68.69 6.63 1.3664 4 4 4 71.12 1.04 1.3256 5 5 1 75.09 5.08 1.2651 6 4 2 77.44 7.31 1.2325 5 5 3 77.44 6.58 1.2325 7 3 1 81.30 9.11 1.1834 8 0 0 87.41 1.49 1.1157 8 2 2 89.70 6.49 1.0932 7 5 1 89.70 2.15 1.0932 5 5 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.