Likasite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R090009 Effenberger H Neues Jahrbuch fur Mineralogie, Monatshefte 1986 (1986) 101-110 Likasite, Cu3(OH)5(NO3)*2(H2O): Revision of the chemical formula and redetermination of the crystal structure Locality: Likasi Mine, Zaire CELL PARAMETERS: 5.8350 6.7820 21.7200 90.000 90.000 90.000 SPACE GROUP: Pcmn ATOM X Y Z OCCUPANCY ISO(B) Cu 0.82240 0.25000 0.10550 1.000 0.974 Cu 0.32840 0.25000 0.10030 1.000 0.974 Cu 0.00000 0.00000 0.00000 1.000 1.342 N 0.08000 0.25000 0.24200 1.000 1.921 O 0.26100 0.25000 0.21000 1.000 2.474 O -0.10300 0.25000 0.21400 1.000 2.369 O 0.08800 0.25000 0.29900 1.000 1.632 OH 0.15800 0.75000 0.00200 1.000 1.132 OH 0.07600 0.06000 0.08600 1.000 1.158 OH 0.57300 0.05500 0.10900 1.000 1.132 Wa 0.08200 0.75000 0.17000 1.000 1.948 Wa 0.62800 0.75000 0.03000 1.000 2.527 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 6 +/- 19 MAX. ABS. INTENSITY / VOLUME**2: 27.09242327 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.14 96.99 10.8600 0 0 2 15.40 100.00 5.7524 0 1 2 15.73 26.65 5.6352 1 0 1 16.32 2.85 5.4300 0 0 4 19.54 10.63 4.5432 1 0 3 20.49 3.29 4.3342 1 1 1 20.96 15.98 4.2388 0 1 4 23.57 2.22 3.7745 1 1 3 24.59 2.41 3.6200 0 0 6 25.56 11.61 3.4844 1 0 5 25.98 1.42 3.4294 1 1 4 26.28 15.99 3.3910 0 2 0 27.56 8.45 3.2369 0 2 2 27.94 14.56 3.1935 0 1 6 28.81 5.54 3.0993 1 1 5 30.77 9.27 2.9055 1 2 1 31.09 7.02 2.8762 0 2 4 31.76 1.62 2.8176 2 0 2 31.95 1.71 2.8014 1 1 6 32.69 2.75 2.7396 1 0 7 32.96 16.43 2.7175 1 2 3 32.99 7.02 2.7150 0 0 8 33.10 1.90 2.7061 2 0 3 33.70 24.70 2.6599 2 1 1 34.47 9.75 2.6020 2 1 2 34.91 6.69 2.5700 2 0 4 35.62 27.44 2.5205 0 1 8 35.72 2.26 2.5134 2 1 3 36.30 5.69 2.4748 0 2 6 36.99 3.75 2.4302 1 2 5 39.68 4.44 2.2716 2 0 6 40.45 1.00 2.2301 1 0 9 40.77 1.59 2.2132 0 3 2 40.80 12.29 2.2116 2 2 0 41.02 3.19 2.2002 2 2 1 41.58 15.38 2.1720 0 0 10 41.68 10.49 2.1671 2 2 2 42.53 4.14 2.1255 2 0 7 42.75 13.43 2.1151 2 2 3 44.51 1.01 2.0356 1 0 10 46.90 1.28 1.9372 3 0 1 47.41 1.43 1.9175 0 3 6 47.68 2.15 1.9073 2 1 8 48.46 1.29 1.8784 3 0 3 48.68 1.78 1.8704 1 0 11 48.88 1.03 1.8633 1 2 9 50.69 12.19 1.8010 2 2 7 50.92 3.88 1.7934 2 1 9 51.30 11.54 1.7810 2 3 1 51.85 5.67 1.7633 2 3 2 52.31 2.03 1.7488 0 1 12 52.69 3.38 1.7373 0 3 8 52.76 1.13 1.7349 2 3 3 53.44 4.58 1.7147 2 2 8 54.09 8.16 1.6955 0 4 0 54.56 1.32 1.6821 3 2 1 54.80 1.12 1.6752 0 4 2 55.61 2.59 1.6526 2 3 5 55.96 1.26 1.6431 3 2 3 56.16 1.66 1.6378 1 2 11 56.43 2.20 1.6305 2 2 9 56.70 1.16 1.6236 1 4 1 57.37 2.38 1.6062 1 0 13 58.02 1.62 1.5897 2 1 11 58.71 1.42 1.5727 3 2 5 59.67 7.29 1.5496 2 2 10 60.75 1.42 1.5246 1 4 5 61.86 1.28 1.5000 2 1 12 62.19 1.87 1.4927 2 3 8 62.68 1.51 1.4822 3 2 7 63.12 1.60 1.4729 2 2 11 63.97 1.67 1.4555 4 0 1 64.65 1.10 1.4417 1 4 7 64.83 1.31 1.4381 0 4 8 64.90 1.58 1.4368 2 4 3 64.93 2.68 1.4361 2 3 9 65.24 1.99 1.4300 4 0 3 65.60 2.30 1.4231 4 1 1 66.01 2.47 1.4153 2 4 4 66.25 2.35 1.4108 0 2 14 67.77 1.07 1.3828 3 2 9 69.13 2.02 1.3587 2 4 6 69.35 3.17 1.3550 4 1 5 69.89 1.69 1.3459 0 5 2 70.24 1.26 1.3400 4 2 0 70.45 3.21 1.3365 0 4 10 71.13 2.15 1.3255 2 4 7 71.16 1.50 1.3249 2 3 11 71.46 1.44 1.3201 4 0 7 74.64 1.01 1.2716 2 3 12 75.43 1.04 1.2603 0 2 16 77.79 1.85 1.2278 4 1 9 78.89 1.74 1.2134 0 5 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.