Clinoatacamite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R090062 Malcherek T, Schluter J Acta Crystallographica B65 (2009) 334-341 Structures of the pseudo-trigonal polymorphs of Cu2(OH)3Cl Locality: Vendida mine, Sierra Gorda district, Chile Note: Sample #1 _database_code_amcsd 0017749 CELL PARAMETERS: 6.1710 6.8090 9.1190 90.000 99.660 90.000 SPACE GROUP: P2_1/n ATOM X Y Z OCCUPANCY ISO(B) Cu 0.00000 0.50000 0.50000 1.000 0.909 Cu 0.00000 0.00000 0.00000 1.000 0.934 Cu 0.25920 0.23666 0.74865 1.000 0.951 O 0.30680 0.29170 0.54800 1.000 1.297 O 0.42210 0.98220 0.77570 1.000 1.000 O 0.25770 0.67980 0.54000 1.000 1.060 H 0.28100 0.18100 0.48600 1.000 0.704 H 0.55200 0.98200 0.72700 1.000 0.704 H 0.24600 0.79500 0.47700 1.000 0.704 Cl 0.11170 0.99576 0.30678 1.000 1.280 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 6 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 31.57354253 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 16.16 49.74 5.4834 -1 0 1 16.33 100.00 5.4278 0 1 1 18.94 24.69 4.6865 1 0 1 19.57 2.28 4.5366 1 1 0 19.75 1.19 4.4949 0 0 2 26.10 5.21 3.4137 -1 1 2 26.18 2.58 3.4045 0 2 0 29.68 2.08 3.0102 1 1 2 30.92 21.96 2.8924 -1 2 1 30.97 12.39 2.8870 -1 0 3 32.23 1.12 2.7772 2 1 0 32.25 41.82 2.7762 -2 1 1 32.51 41.75 2.7544 1 2 1 32.65 36.91 2.7427 0 1 3 32.66 9.01 2.7417 -2 0 2 33.01 17.54 2.7139 0 2 2 38.42 16.97 2.3432 2 0 2 39.74 62.78 2.2683 2 2 0 40.12 30.06 2.2474 0 0 4 40.77 2.23 2.2130 -2 1 3 40.99 1.81 2.2019 -1 2 3 41.01 2.51 2.2006 0 3 1 44.10 4.36 2.0535 -3 0 1 44.68 9.44 2.0283 1 2 3 47.60 5.28 1.9105 3 0 1 47.95 9.86 1.8972 2 1 3 49.89 3.02 1.8278 -3 0 3 50.16 16.05 1.8188 -2 3 1 50.44 5.52 1.8093 0 3 3 50.46 8.79 1.8087 -1 0 5 52.01 1.39 1.7584 -3 2 1 52.30 1.81 1.7491 2 3 1 52.65 1.93 1.7384 0 1 5 53.70 26.25 1.7068 -2 2 4 53.86 12.86 1.7023 0 4 0 55.12 3.87 1.6661 3 2 1 55.69 1.69 1.6506 1 0 5 56.48 2.90 1.6292 -2 3 3 56.56 2.80 1.6273 -2 1 5 56.61 2.32 1.6257 -1 4 1 57.20 1.42 1.6104 -3 2 3 57.61 1.16 1.6000 1 4 1 57.72 1.19 1.5973 -1 2 5 60.91 3.34 1.5209 4 0 0 61.62 6.74 1.5051 2 2 4 61.64 5.16 1.5046 -4 1 1 61.79 1.18 1.5013 1 3 4 62.31 4.46 1.4901 2 3 3 62.54 5.28 1.4852 1 2 5 63.09 1.51 1.4736 -3 0 5 63.44 2.94 1.4663 -1 4 3 64.43 4.03 1.4462 -2 4 2 64.56 2.33 1.4435 -2 0 6 65.38 1.48 1.4274 4 1 1 65.77 1.41 1.4198 3 2 3 66.09 1.71 1.4137 2 1 5 67.47 6.80 1.3881 -4 2 2 68.08 6.36 1.3772 2 4 2 68.41 6.89 1.3714 0 2 6 68.44 3.64 1.3709 -4 0 4 69.24 6.72 1.3570 0 4 4 69.51 1.73 1.3524 -3 2 5 69.76 1.69 1.3482 -2 3 5 69.86 1.84 1.3464 0 5 1 72.07 1.66 1.3105 -3 4 1 74.34 1.81 1.2759 -4 3 1 74.55 6.15 1.2729 4 2 2 74.68 1.42 1.2710 3 4 1 75.26 2.98 1.2627 2 0 6 75.31 1.26 1.2620 0 1 7 76.19 2.33 1.2495 -4 1 5 76.47 1.48 1.2457 -3 4 3 76.68 1.70 1.2428 -2 5 1 76.86 1.56 1.2403 -2 1 7 76.90 2.34 1.2398 0 5 3 76.91 2.34 1.2396 -1 4 5 81.61 1.06 1.1797 5 0 1 82.29 1.18 1.1716 4 0 4 82.46 1.93 1.1697 3 2 5 85.65 1.33 1.1341 4 4 0 85.90 1.11 1.1315 -5 2 3 86.88 1.16 1.1212 2 5 3 88.08 1.14 1.1090 -4 3 5 88.33 1.55 1.1065 -4 2 6 88.73 1.10 1.1026 -2 3 7 88.89 1.57 1.1010 -2 4 6 88.96 1.42 1.1003 0 6 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.