Birchite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R150100 Elliot P, Brugger J, Pring A, Cole M L, Willis A C, Kolitsch U American Mineralogist 93 (2008) 910-917 Birchite, a new mineral from Broken Hill, New South Wales, Australia: Description and structure refinement Locality: Block 14 Opencut, Broken Hill, New South Wales, Australia _database_code_amcsd 0004585 CELL PARAMETERS: 10.4919 20.9190 6.1729 90.000 90.000 90.000 SPACE GROUP: Pnma ATOM X Y Z OCCUPANCY ISO(B) Cd 0.90709 0.60270 0.54392 1.000 1.871 Cu 0.10856 0.56327 0.12074 1.000 1.516 P 0.17350 0.54334 0.63330 1.000 1.287 S 0.94680 0.75000 0.75960 1.000 1.887 O 0.98800 0.75000 0.98520 1.000 2.685 O 0.80660 0.75000 0.74900 1.000 1.895 O 0.99990 0.69260 0.64910 1.000 3.000 O 0.28880 0.58650 0.65740 1.000 1.595 O 0.07640 0.54890 0.81750 1.000 1.548 O 0.21810 0.47290 0.60990 1.000 1.508 O 0.09250 0.56170 0.42980 1.000 1.516 Wa 0.95030 0.62110 0.14180 1.000 1.721 Wa 0.22120 0.65930 0.05930 1.000 1.666 Wa 0.69470 0.75000 0.13850 1.000 2.369 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 19 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 37.32365550 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.45 100.00 10.4595 0 2 0 14.96 5.42 5.9205 0 1 1 16.66 16.23 5.3204 1 0 1 16.90 5.50 5.2460 2 0 0 16.95 9.13 5.2298 0 4 0 17.20 19.79 5.1562 1 1 1 17.43 6.67 5.0884 2 1 0 18.71 1.38 4.7421 1 2 1 19.20 1.86 4.6220 0 3 1 21.00 30.03 4.2298 1 3 1 22.24 11.44 3.9974 2 0 1 22.65 2.15 3.9264 2 1 1 23.86 15.45 3.7296 1 4 1 24.03 3.92 3.7037 2 4 0 25.55 29.51 3.4865 0 6 0 25.69 6.37 3.4680 2 3 1 27.11 1.13 3.2887 1 5 1 27.26 17.80 3.2709 2 5 0 28.93 4.32 3.0865 0 0 2 29.67 8.15 3.0112 3 1 1 30.18 3.62 2.9610 1 0 2 30.19 1.86 2.9603 0 2 2 30.49 10.78 2.9318 1 1 2 30.66 2.45 2.9161 1 6 1 30.79 4.41 2.9037 2 6 0 31.40 7.64 2.8490 1 2 2 32.09 30.20 2.7889 3 3 1 32.86 17.75 2.7254 1 3 2 33.72 9.44 2.6581 0 4 2 33.97 1.51 2.6389 2 1 2 34.12 10.53 2.6275 2 6 1 34.18 3.54 2.6230 4 0 0 34.46 4.63 2.6026 4 1 0 34.54 29.01 2.5967 2 7 0 34.82 1.26 2.5767 1 4 2 35.28 8.27 2.5442 4 2 0 36.14 10.38 2.4855 2 3 2 36.51 3.04 2.4609 3 5 1 38.26 1.31 2.3522 4 2 1 38.36 1.75 2.3468 1 8 1 38.39 2.19 2.3446 4 4 0 38.92 2.86 2.3141 3 0 2 40.60 1.24 2.2223 4 5 0 41.10 2.39 2.1963 3 3 2 42.39 8.89 2.1321 3 7 1 42.73 4.09 2.1162 3 4 2 42.76 2.46 2.1149 2 6 2 43.16 5.61 2.0960 4 6 0 43.27 1.35 2.0910 4 5 1 44.75 1.31 2.0250 3 5 2 44.89 3.53 2.0192 1 0 3 45.11 1.33 2.0098 1 1 3 45.38 1.39 1.9987 4 0 2 45.59 1.11 1.9896 4 1 2 45.66 3.04 1.9870 2 7 2 45.66 1.08 1.9867 5 0 1 45.75 1.68 1.9832 3 8 1 45.77 2.64 1.9826 1 2 3 46.04 3.72 1.9713 4 7 0 46.32 4.11 1.9600 1 8 2 46.66 7.89 1.9468 1 10 1 47.31 2.91 1.9213 4 3 2 47.46 3.86 1.9156 2 0 3 48.30 1.93 1.8842 2 2 3 48.32 3.76 1.8836 1 4 3 48.78 1.59 1.8670 4 4 2 49.05 7.17 1.8572 5 4 1 49.34 3.67 1.8471 3 9 1 49.36 1.09 1.8464 0 5 3 50.76 3.18 1.7987 2 4 3 51.09 5.80 1.7879 2 11 0 52.32 2.10 1.7487 6 0 0 52.36 2.91 1.7473 1 6 3 52.79 1.74 1.7340 4 6 2 52.83 1.96 1.7330 3 8 2 52.87 1.66 1.7316 0 10 2 53.64 2.01 1.7085 1 10 2 54.11 1.16 1.6948 0 7 3 54.49 3.16 1.6840 5 3 2 54.67 2.68 1.6788 2 6 3 54.87 1.12 1.6731 1 7 3 55.30 1.67 1.6611 6 2 1 55.40 2.21 1.6584 6 4 0 56.35 1.37 1.6328 3 5 3 56.87 1.05 1.6189 4 0 3 57.61 1.79 1.5999 4 2 3 57.69 1.34 1.5979 2 12 1 58.33 2.28 1.5819 5 8 1 59.10 1.46 1.5631 6 6 0 59.57 1.64 1.5518 3 10 2 59.78 1.94 1.5471 2 11 2 60.15 4.18 1.5384 2 13 0 60.73 2.50 1.5251 3 7 3 60.89 1.04 1.5214 6 0 2 61.82 1.54 1.5007 5 7 2 62.25 1.24 1.4915 1 3 4 63.30 2.81 1.4692 5 0 3 63.70 1.39 1.4609 6 4 2 64.09 1.64 1.4530 7 1 1 64.33 1.56 1.4482 2 3 4 64.48 1.09 1.4451 4 10 2 64.71 3.10 1.4406 5 10 1 64.81 2.03 1.4386 1 14 1 65.46 3.19 1.4258 7 3 1 67.01 1.72 1.3966 0 11 3 67.06 1.76 1.3957 2 5 4 72.94 1.75 1.2970 3 11 3 75.78 1.01 1.2553 3 14 2 78.61 1.17 1.2170 6 7 3 85.01 1.05 1.1410 0 7 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.