Gillardite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110068 Clissold M E, Leverett P, Williams P A, Hibbs D E, Nickel E H The Canadian Mineralogist 45 (2007) 317-320 The structure of gillardite, the Ni-analogue of herbertsmithite, from Widgiemooltha, Western Australia Locality: 132N deposit, Widgiemooltha, Australia _database_code_amcsd 0006139 CELL PARAMETERS: 6.8470 6.8470 13.8910 90.000 90.000 120.000 SPACE GROUP: R-3m ATOM X Y Z OCCUPANCY ISO(B) Cu 0.50000 0.00000 0.00000 1.000 0.426 Ni 0.00000 0.00000 0.50000 0.903 0.340 Cu 0.00000 0.00000 0.50000 0.081 0.340 Co 0.00000 0.00000 0.50000 0.012 0.340 Fe 0.00000 0.00000 0.50000 0.004 0.340 Cl 0.00000 0.00000 0.19330 1.000 0.576 O 0.20700 -0.20700 0.06240 1.000 0.576 H 0.14400 -0.14400 0.08580 1.000 1.737 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 12 MAX. ABS. INTENSITY / VOLUME**2: 48.10689534 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 16.25 100.00 5.4536 1 0 1 19.17 16.22 4.6303 0 0 3 19.69 2.92 4.5097 0 1 2 26.03 4.68 3.4235 1 1 0 29.82 2.45 2.9967 1 0 4 30.84 25.81 2.8995 0 2 1 32.53 78.78 2.7528 1 1 3 32.85 17.19 2.7268 2 0 2 38.90 10.55 2.3152 0 0 6 39.98 64.80 2.2549 0 2 4 40.78 3.80 2.2126 2 1 1 44.70 10.66 2.0273 2 0 5 47.40 1.17 1.9178 1 1 6 48.37 9.79 1.8818 1 0 7 50.18 18.82 1.8179 0 3 3 50.18 5.62 1.8179 3 0 3 52.46 3.70 1.7444 1 2 5 53.53 29.18 1.7118 2 2 0 55.74 4.32 1.6491 0 2 7 56.33 5.77 1.6332 1 3 1 57.39 3.00 1.6056 2 2 3 57.60 1.91 1.6003 3 1 2 61.71 1.42 1.5032 3 0 6 61.93 7.71 1.4983 2 0 8 62.51 11.18 1.4857 2 1 7 63.07 3.97 1.4740 4 0 1 64.25 4.95 1.4498 0 4 2 66.01 1.09 1.4152 3 1 5 66.45 3.28 1.4071 1 1 9 68.13 14.86 1.3764 2 2 6 68.34 2.21 1.3726 1 2 8 68.87 8.34 1.3634 4 0 4 69.42 4.34 1.3539 3 2 1 72.23 2.42 1.3079 0 4 5 75.01 3.06 1.2663 1 3 7 75.59 6.54 1.2579 0 2 10 76.43 3.60 1.2462 1 4 3 76.43 5.79 1.2462 4 1 3 83.14 2.76 1.1618 2 0 11 84.53 1.14 1.1463 2 2 9 86.28 1.71 1.1274 0 4 8 86.80 2.44 1.1220 3 2 7 88.35 1.35 1.1063 4 2 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.