Conichalcite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120017 Sakai S, Yoshiasa A, Sugiyama K, Miyawaki R Journal of Mineralogical and Petrological Sciences 104 (2009) 125-131 Crystal structure and chemistry of conichalcite, CaCu(AsO4)(OH) Locality: Higgins mine, Arizona, USA _database_code_amcsd 0018380 CELL PARAMETERS: 7.3870 5.8161 9.2430 90.000 90.000 90.000 SPACE GROUP: P2_12_12_1 ATOM X Y Z OCCUPANCY ISO(B) Ca 0.11680 0.27060 0.42580 1.000 0.647 Cu 0.00500 -0.00040 0.74940 0.960 0.734 Mg 0.00500 -0.00040 0.74940 0.040 0.734 As 0.36810 -0.23500 0.58020 1.000 0.640 O 0.18840 -0.25500 0.69830 1.000 0.869 O 0.54100 -0.16700 0.69120 1.000 1.263 O 0.38700 0.51400 0.49080 1.000 1.184 O 0.35500 -0.00700 0.46970 1.000 0.947 O 0.13900 0.25400 0.68140 1.000 0.790 H 0.25000 0.26000 0.72000 1.000 2.369 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 5 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 23.85114648 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.35 27.54 5.7705 1 0 1 18.02 24.24 4.9226 0 1 1 21.69 39.32 4.0964 1 1 1 22.70 15.50 3.9179 1 0 2 24.10 18.58 3.6935 2 0 0 24.60 1.32 3.6183 0 1 2 25.98 19.81 3.4298 2 0 1 27.45 15.34 3.2494 1 1 2 28.63 90.07 3.1179 2 1 0 30.25 1.40 2.9544 2 1 1 30.75 9.55 2.9081 0 2 0 30.99 23.45 2.8853 2 0 2 31.46 100.00 2.8436 1 0 3 32.27 1.14 2.7740 0 2 1 34.54 77.94 2.5969 1 2 1 34.71 38.89 2.5847 2 1 2 35.13 48.75 2.5546 1 1 3 36.51 16.13 2.4613 0 2 2 37.81 13.18 2.3794 3 0 1 38.03 9.59 2.3659 2 0 3 38.55 13.78 2.3351 1 2 2 38.98 3.75 2.3108 0 0 4 39.44 15.13 2.2848 2 2 0 40.68 1.07 2.2181 2 2 1 40.98 2.03 2.2022 3 1 1 44.22 20.75 2.0482 2 2 2 44.51 3.04 2.0357 3 1 2 44.57 1.99 2.0331 1 2 3 46.35 6.84 1.9590 2 0 4 47.25 1.00 1.9235 3 0 3 49.07 6.30 1.8565 2 1 4 49.35 4.34 1.8468 4 0 0 49.50 7.34 1.8415 3 2 1 49.60 6.43 1.8378 1 3 1 49.94 19.05 1.8262 3 1 3 50.44 20.84 1.8091 0 2 4 51.09 1.99 1.7878 0 3 2 52.68 1.41 1.7376 1 3 2 52.96 1.77 1.7291 4 1 1 53.37 12.23 1.7166 2 3 0 53.43 23.00 1.7149 4 0 2 53.47 6.72 1.7137 1 1 5 55.59 1.59 1.6531 2 0 5 56.65 8.39 1.6247 2 2 4 56.89 2.74 1.6184 3 1 4 57.25 4.97 1.6092 2 3 2 57.44 44.64 1.6043 3 2 3 57.54 9.38 1.6018 1 3 3 59.27 18.75 1.5590 4 2 0 60.06 6.58 1.5405 0 0 6 60.67 21.94 1.5264 1 2 5 61.72 1.08 1.5030 3 3 1 62.86 7.73 1.4783 3 0 5 63.80 5.83 1.4589 5 0 1 64.04 12.65 1.4540 0 4 0 64.40 1.66 1.4467 3 3 2 64.60 4.50 1.4426 4 0 4 64.88 6.14 1.4371 2 2 5 65.10 3.31 1.4328 3 1 5 65.67 1.79 1.4218 2 0 6 66.02 1.87 1.4150 5 1 1 66.29 3.14 1.4100 1 4 1 66.44 1.41 1.4072 5 0 2 67.86 10.54 1.3811 2 1 6 68.04 2.45 1.3780 2 3 4 68.75 5.43 1.3655 3 3 3 68.88 1.25 1.3632 1 4 2 70.32 1.94 1.3387 2 4 1 71.69 2.31 1.3165 1 3 5 72.84 4.65 1.2985 5 1 3 72.84 3.01 1.2985 2 4 2 73.10 13.62 1.2946 1 4 3 74.25 2.75 1.2773 2 2 6 74.42 1.64 1.2747 4 1 5 74.98 2.26 1.2667 5 2 2 76.83 4.55 1.2407 3 4 1 77.54 1.10 1.2312 6 0 0 79.07 9.81 1.2111 5 2 3 79.59 5.30 1.2045 6 1 0 80.78 1.09 1.1897 6 0 2 81.03 3.52 1.1867 1 2 7 81.96 1.72 1.1756 3 3 5 82.64 2.96 1.1676 2 4 4 82.98 3.59 1.1637 3 0 7 83.82 2.72 1.1541 5 0 5 84.51 4.96 1.1465 2 3 6 84.88 1.22 1.1424 4 4 0 85.08 1.26 1.1403 1 5 1 85.84 1.42 1.1320 5 1 5 88.03 2.66 1.1095 2 5 0 88.07 6.76 1.1090 4 4 2 88.88 1.36 1.1011 6 2 2 89.20 2.76 1.0979 5 3 3 89.42 12.23 1.0958 4 2 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.