Herbertsmithite Braithwaite R S W, Mereiter K, Paar W H, Clark A M Mineralogical Magazine 68 (2004) 527-539 Herbertsmithite, Cu3Zn(OH)6Cl2, a new species and the definition of paratacamite Note: structure was sent to us from Kurt Mereiter by email Locality: Mina Los Tres Presidentes, Sierra Gorda, Chile _database_code_amcsd 0014574 CELL PARAMETERS: 6.8340 6.8340 14.0750 90.000 90.000 120.000 SPACE GROUP: R-3m X-RAY WAVELENGTH: 1.541838 Cell Volume: 569.284 Density (g/cm3): 3.753 MAX. ABS. INTENSITY / VOLUME**2: 49.41385025 RIR: 4.287 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 16.25 100.00 5.4557 1 0 1 6 18.92 15.30 4.6917 0 0 3 2 19.60 2.06 4.5296 0 1 2 6 26.08 5.14 3.4170 1 1 0 6 29.53 1.64 3.0246 1 0 4 6 30.88 22.21 2.8959 0 2 1 6 32.41 78.58 2.7621 1 1 3 12 32.83 17.31 2.7279 2 0 2 6 38.37 10.79 2.3458 0 0 6 2 39.80 63.50 2.2648 0 2 4 6 40.85 4.38 2.2092 2 1 1 12 44.42 8.96 2.0396 2 0 5 6 46.98 1.28 1.9340 1 1 6 12 47.77 10.47 1.9038 1 0 7 6 50.16 17.64 1.8186 0 3 3 6 50.16 5.66 1.8186 3 0 3 6 52.23 3.71 1.7513 1 2 5 12 53.64 27.36 1.7085 2 2 0 6 55.23 3.82 1.6631 0 2 7 6 56.44 5.75 1.6304 1 3 1 12 57.40 2.58 1.6054 2 2 3 12 57.67 1.38 1.5986 3 1 2 12 61.30 7.47 1.5123 2 0 8 6 61.41 1.36 1.5099 3 0 6 6 62.07 10.88 1.4954 2 1 7 12 63.19 3.18 1.4715 4 0 1 6 64.34 4.57 1.4479 0 4 2 6 65.66 3.09 1.4220 1 1 9 12 65.87 1.14 1.4180 3 1 5 12 67.76 1.72 1.3829 1 2 8 12 67.86 13.63 1.3810 2 2 6 12 68.84 7.81 1.3639 4 0 4 6 69.56 4.17 1.3515 3 2 1 12 72.12 1.97 1.3097 0 4 5 6 74.64 3.04 1.2716 1 3 7 12 74.68 6.34 1.2711 0 2 10 6 76.50 3.22 1.2452 1 4 3 12 76.50 5.28 1.2452 4 1 3 12 82.05 2.30 1.1745 2 0 11 6 85.81 1.64 1.1324 0 4 8 6 86.49 2.33 1.1253 3 2 7 12 88.52 1.19 1.1046 4 2 2 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.