Linarite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120094 Effenberger H Mineralogy and Petrology 36 (1987) 3-12 Crystal structure and chemical formula of schmiederite, Pb2Cu2(OH)4(SeO3)(SeO4), with a comparison to linarite PbCu(OH)2(SO4) Locality: Leadhills, Scotland _database_code_amcsd 0014611 CELL PARAMETERS: 9.7240 5.6660 4.6970 90.000 102.700 90.000 SPACE GROUP: P2_1/m ATOM X Y Z OCCUPANCY ISO(B) Pb 0.34201 0.25000 0.32838 1.000 1.484 Cu 0.00000 0.00000 0.00000 1.000 0.874 S 0.33190 0.75000 0.88450 1.000 0.902 O 0.47540 0.75000 0.06560 1.000 1.433 O 0.33470 0.75000 0.56930 1.000 2.100 O 0.25310 0.53550 0.94260 1.000 1.520 OH 0.03420 0.75000 0.28640 1.000 1.013 OH 0.09520 0.25000 0.26670 1.000 0.886 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 5 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 87.43428480 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.32 19.02 9.4861 1 0 0 18.24 42.44 4.8643 1 1 0 18.71 1.72 4.7430 2 0 0 19.37 1.38 4.5821 0 0 1 19.58 63.32 4.5349 -1 0 1 24.48 23.61 3.6370 2 1 0 24.99 61.58 3.5628 0 1 1 28.22 45.74 3.1622 1 1 1 28.22 54.26 3.1620 3 0 0 28.65 43.99 3.1159 -2 1 1 29.95 17.78 2.9839 2 0 1 31.58 16.38 2.8330 0 2 0 32.43 1.16 2.7612 3 1 0 33.00 25.54 2.7145 1 2 0 34.56 26.60 2.5955 -3 1 1 36.96 6.19 2.4322 2 2 0 37.32 14.81 2.4096 0 2 1 37.43 5.56 2.4027 -1 2 1 37.96 2.21 2.3703 3 0 1 38.34 2.12 2.3479 -1 0 2 38.73 19.41 2.3251 -4 0 1 39.64 14.85 2.2736 1 2 1 39.75 11.66 2.2674 -2 0 2 39.96 5.88 2.2562 -2 2 1 41.27 4.85 2.1876 4 1 0 41.29 11.74 2.1867 3 1 1 41.64 16.46 2.1691 -1 1 2 42.00 2.61 2.1511 -4 1 1 42.56 7.59 2.1240 0 1 2 42.58 11.90 2.1230 1 0 2 42.86 9.43 2.1100 3 2 0 42.96 1.24 2.1051 -2 1 2 44.08 4.20 2.0545 2 2 1 44.56 4.34 2.0332 -3 2 1 46.39 2.81 1.9574 -3 1 2 49.19 4.78 1.8523 1 3 0 49.69 10.55 1.8348 4 1 1 50.17 11.58 1.8185 4 2 0 50.18 8.95 1.8179 3 2 1 50.48 7.12 1.8078 -1 2 2 50.49 5.24 1.8077 -5 1 1 50.54 4.66 1.8060 2 1 2 50.75 6.42 1.7990 5 1 0 50.80 2.01 1.7973 -4 2 1 51.29 7.70 1.7814 0 2 2 51.58 6.78 1.7718 -4 1 2 51.63 3.68 1.7703 -2 2 2 52.13 3.19 1.7547 2 3 0 52.40 6.36 1.7462 0 3 1 53.97 1.49 1.6989 1 2 2 54.20 5.10 1.6922 1 3 1 54.45 5.51 1.6850 -2 3 1 54.64 7.67 1.6797 -3 2 2 55.70 4.47 1.6503 -5 0 2 56.42 3.09 1.6308 5 0 1 56.94 3.05 1.6172 3 1 2 57.60 2.69 1.6003 4 2 1 58.17 6.12 1.5858 -3 3 1 58.32 3.98 1.5822 -5 2 1 58.36 3.95 1.5811 2 2 2 58.37 4.50 1.5810 6 0 0 58.56 2.80 1.5764 5 2 0 59.32 2.90 1.5580 -4 2 2 59.80 3.85 1.5465 -6 1 1 60.63 3.96 1.5274 0 0 3 61.33 3.21 1.5116 -3 0 3 61.56 3.19 1.5066 -1 1 3 61.79 3.04 1.5015 -2 1 3 62.22 4.88 1.4920 4 0 2 62.91 1.29 1.4774 4 3 0 62.92 2.28 1.4771 3 3 1 63.18 3.27 1.4716 -1 3 2 63.88 2.26 1.4573 0 3 2 64.25 1.63 1.4497 3 2 2 65.45 1.87 1.4260 -5 2 2 65.95 5.11 1.4165 0 4 0 66.09 1.27 1.4137 -6 1 2 66.16 2.64 1.4124 1 1 3 67.27 1.82 1.3918 -4 1 3 67.65 1.97 1.3850 -7 0 1 67.89 2.39 1.3806 6 2 0 68.58 2.56 1.3684 -1 2 3 68.98 1.63 1.3614 6 1 1 69.47 3.46 1.3530 4 3 1 69.52 3.38 1.3521 -1 4 1 70.12 2.08 1.3421 -5 3 1 70.16 1.73 1.3414 2 3 2 70.33 1.62 1.3385 5 3 0 70.82 2.93 1.3304 2 1 3 71.02 1.88 1.3272 -4 3 2 71.46 1.30 1.3201 4 2 2 72.33 3.01 1.3064 -5 1 3 72.89 2.14 1.2977 -6 2 2 73.22 4.98 1.2927 3 4 0 73.38 1.27 1.2903 5 1 2 74.02 3.53 1.2807 -4 2 3 74.09 2.42 1.2796 2 4 1 74.73 1.46 1.2703 3 0 3 75.07 1.73 1.2653 -7 1 2 75.56 1.34 1.2583 3 3 2 75.66 1.50 1.2569 6 2 1 76.62 1.03 1.2436 -6 0 3 78.07 1.73 1.2241 -6 3 1 78.19 2.84 1.2225 7 2 0 79.18 2.93 1.2097 -4 4 1 79.62 1.45 1.2041 -1 3 3 79.83 1.53 1.2015 -2 3 3 79.84 2.65 1.2013 -2 4 2 79.92 2.24 1.2003 5 2 2 79.92 2.10 1.2003 7 1 1 81.73 2.65 1.1783 1 4 2 82.58 1.45 1.1682 -1 0 4 83.08 1.24 1.1626 -8 0 2 83.25 1.13 1.1606 8 1 0 83.80 1.30 1.1543 1 3 3 84.83 1.02 1.1430 -4 3 3 85.26 1.17 1.1382 -3 1 4 85.69 1.21 1.1337 -4 0 4 87.36 1.76 1.1163 -8 2 1 88.15 1.25 1.1083 2 3 3 88.98 1.23 1.1001 0 5 1 89.58 1.42 1.0943 -5 3 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.