Gerhardtite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120082 Bovio B, Locchi S Journal of Crystallographic and Spectroscopic Research 12 (1982) 507-517 Crystal structure of the orthorhombic basic copper nitrate, Cu2(OH)3NO3 Locality: Kalabi, Jadotville, Katanga _database_code_amcsd 0013022 CELL PARAMETERS: 6.0950 13.7920 5.5550 90.000 90.000 90.000 SPACE GROUP: P2_12_12_1 ATOM X Y Z OCCUPANCY ISO(B) Cu 0.73000 0.24730 0.50090 1.000 0.800 Cu 0.48200 0.25100 0.00830 1.000 0.797 O 0.48910 0.13720 0.68820 1.000 1.152 O 0.62110 0.00400 0.54990 1.000 3.222 O 0.39290 0.00080 0.85920 1.000 2.312 N 0.49940 0.04550 0.69490 1.000 1.113 O 0.48680 0.32250 0.38120 1.000 0.540 O 0.72600 0.31010 0.82240 1.000 0.420 O 0.23800 0.31210 0.82350 1.000 0.170 H 0.45630 0.38550 0.43070 1.000 0.540 H 0.79250 0.37030 0.79940 1.000 0.420 H 0.21250 0.37980 0.81560 1.000 0.170 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 12 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 61.68986121 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.84 100.00 6.8960 0 2 0 21.65 3.14 4.1056 1 0 1 25.25 5.58 3.5277 1 2 1 25.84 27.25 3.4480 0 4 0 29.77 1.26 3.0011 1 4 0 30.51 1.17 2.9295 0 4 1 32.23 6.95 2.7775 0 0 2 32.89 1.05 2.7228 0 1 2 33.54 2.90 2.6718 2 0 1 34.18 23.16 2.6231 2 1 1 34.82 15.25 2.5764 0 2 2 36.05 5.43 2.4914 2 2 1 37.84 2.23 2.3773 0 3 2 38.99 26.59 2.3100 2 3 1 39.19 1.64 2.2987 0 6 0 41.76 14.00 2.1630 0 4 2 42.82 4.62 2.1120 2 4 1 47.37 17.60 1.9191 2 5 1 51.61 6.32 1.7709 0 6 2 53.12 2.14 1.7240 0 8 0 58.18 9.62 1.5857 2 7 1 58.73 12.27 1.5721 2 1 3 60.79 2.29 1.5237 4 0 0 61.20 1.11 1.5145 4 1 0 62.02 5.48 1.4963 2 3 3 62.42 4.04 1.4879 4 2 0 63.51 3.49 1.4648 0 8 2 68.34 2.94 1.3726 2 5 3 68.98 1.75 1.3614 0 2 4 70.89 3.94 1.3293 2 9 1 72.00 2.75 1.3115 4 2 2 73.52 1.50 1.2882 0 4 4 76.47 2.19 1.2457 4 4 2 77.23 1.22 1.2353 0 10 2 77.34 1.34 1.2338 2 7 3 80.87 1.53 1.1887 0 6 4 83.74 2.07 1.1550 4 6 2 85.56 1.88 1.1351 2 11 1 88.90 1.28 1.1009 2 9 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.