Goldichite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120120 Graeber E J, Rosenzweig A American Mineralogist 56 (1971) 1917-1933 The crystal structures of yavapaiite, KFe(SO4)2, and goldichite, KFe(SO4)2.4H2O _database_code_amcsd 0000264 CELL PARAMETERS: 10.4150 10.4990 9.1040 90.000 101.600 90.000 SPACE GROUP: P2_1/c ATOM X Y Z OCCUPANCY ISO(B) Fe 0.70650 0.13460 0.09350 1.000 0.913 K 0.67770 0.74350 0.03510 1.000 2.136 S 0.52530 0.48070 0.28310 1.000 0.721 S 0.88980 0.30300 0.35570 1.000 0.848 O 0.92080 0.42350 0.29070 1.000 2.212 O 0.86390 0.17350 0.00840 1.000 1.747 Wa 0.81350 -0.01520 0.19570 1.000 1.435 O 0.59100 0.50580 0.15980 1.000 1.491 O 0.62590 0.02140 -0.07280 1.000 1.407 Wa 0.83760 0.53250 -0.01090 1.000 2.413 O 0.56210 0.09380 0.20480 1.000 1.284 O 0.45000 0.36390 0.26480 1.000 1.614 Wa 0.82100 0.67850 0.33210 1.000 2.608 Wa 0.60660 0.29100 -0.00270 1.000 1.395 O 0.99430 0.21140 0.36490 1.000 2.233 O 0.76440 0.25080 0.26510 1.000 1.422 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 9 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 5.701665211 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.67 73.36 10.2023 1 0 0 12.10 100.00 7.3168 1 1 0 13.03 80.80 6.7970 0 1 1 14.51 14.79 6.1047 -1 1 1 16.89 5.96 5.2495 0 2 0 17.38 6.84 5.1011 2 0 0 19.01 34.45 4.6678 1 2 0 19.35 6.56 4.5882 2 1 0 20.06 3.65 4.4254 -1 0 2 20.10 2.18 4.4179 -2 1 1 20.65 31.21 4.3014 -1 2 1 21.65 2.48 4.1042 0 1 2 21.79 19.99 4.0779 -1 1 2 22.29 54.35 3.9876 1 2 1 23.32 6.55 3.8141 1 0 2 23.35 5.55 3.8093 2 1 1 24.33 20.95 3.6584 2 2 0 24.84 5.96 3.5849 1 1 2 24.94 12.34 3.5703 -2 2 1 25.21 20.10 3.5330 -2 1 2 26.20 1.56 3.4008 3 0 0 26.22 29.74 3.3985 0 2 2 26.34 13.91 3.3835 -1 2 2 26.93 5.18 3.3103 1 3 0 27.38 17.24 3.2578 0 3 1 27.47 27.12 3.2470 -3 1 1 27.57 5.68 3.2353 3 1 0 27.66 14.19 3.2253 2 2 1 28.13 7.49 3.1717 -1 3 1 28.94 28.33 3.0856 1 2 2 29.13 62.71 3.0656 2 0 2 29.26 32.36 3.0524 -2 2 2 29.39 5.57 3.0394 1 3 1 29.66 60.82 3.0118 -3 0 2 30.37 11.23 2.9428 2 1 2 30.79 2.40 2.9040 -1 1 3 30.89 1.46 2.8951 -3 1 2 30.99 17.29 2.8858 2 3 0 31.16 4.36 2.8704 3 1 1 31.25 1.90 2.8622 -3 2 1 31.27 26.39 2.8602 0 1 3 31.34 24.53 2.8542 3 2 0 31.48 8.48 2.8420 -2 3 1 32.52 11.79 2.7530 0 3 2 32.62 4.60 2.7450 -1 3 2 33.71 65.43 2.6585 2 3 1 33.86 1.60 2.6473 2 2 2 34.16 8.24 2.6247 0 4 0 34.33 4.12 2.6124 -3 2 2 34.58 6.18 2.5942 3 2 1 34.68 14.61 2.5867 0 2 3 34.79 2.59 2.5786 1 3 2 35.06 7.60 2.5591 -2 3 2 35.19 1.72 2.5506 4 0 0 35.66 3.31 2.5180 0 4 1 36.24 1.75 2.4785 4 1 0 36.30 1.73 2.4748 3 0 2 36.78 7.21 2.4439 -3 3 1 36.91 14.65 2.4350 -4 0 2 36.94 20.34 2.4331 -3 1 3 37.33 1.51 2.4087 3 1 2 38.72 11.61 2.3256 -4 2 1 39.60 12.04 2.2756 -1 0 4 40.46 1.46 2.2295 0 0 4 40.85 3.89 2.2090 -4 2 2 40.86 2.42 2.2087 2 4 1 41.04 1.81 2.1994 -2 3 3 41.78 3.72 2.1622 1 4 2 41.83 5.92 2.1597 2 2 3 42.16 7.73 2.1433 1 3 3 42.69 4.13 2.1180 -4 1 3 43.34 26.29 2.0879 -1 2 4 43.93 8.28 2.0612 4 3 0 44.03 5.73 2.0567 1 5 0 44.14 3.09 2.0518 1 1 4 44.35 2.33 2.0424 -5 1 1 44.43 1.31 2.0390 -2 2 4 44.82 7.06 2.0221 -1 5 1 44.86 12.84 2.0206 3 3 2 44.99 1.12 2.0151 -5 0 2 45.20 5.87 2.0062 4 1 2 45.20 1.20 2.0061 3 1 3 45.27 1.82 2.0030 5 1 0 45.37 4.74 1.9988 -4 3 2 45.49 1.53 1.9938 2 4 2 46.74 1.23 1.9435 1 2 4 47.31 4.83 1.9213 -3 2 4 47.67 1.07 1.9078 -1 3 4 47.75 1.26 1.9046 4 2 2 47.76 4.55 1.9045 3 2 3 47.83 1.41 1.9018 5 2 0 47.88 9.48 1.8997 0 5 2 47.95 4.36 1.8971 -1 5 2 48.38 1.17 1.8812 -5 2 2 48.41 2.63 1.8804 0 3 4 48.51 2.66 1.8767 5 1 1 48.53 5.46 1.8759 -4 0 4 48.75 1.37 1.8678 2 5 1 49.35 2.53 1.8466 -4 1 4 49.40 5.23 1.8450 -4 4 1 49.56 8.64 1.8395 1 5 2 49.76 2.52 1.8323 -2 5 2 50.70 2.80 1.8006 3 4 2 50.95 1.56 1.7924 2 2 4 51.04 13.27 1.7894 -5 3 1 51.12 2.65 1.7867 3 5 0 51.38 2.86 1.7782 -3 3 4 51.51 2.09 1.7743 -2 1 5 51.80 1.23 1.7650 4 3 2 51.80 6.29 1.7649 3 3 3 52.00 6.75 1.7586 -5 2 3 52.28 1.46 1.7498 0 6 0 52.39 2.24 1.7463 -5 3 2 52.49 1.30 1.7434 4 1 3 52.85 1.38 1.7324 2 5 2 53.35 6.88 1.7173 3 5 1 53.35 2.72 1.7171 0 6 1 53.42 1.66 1.7151 0 5 3 53.48 2.85 1.7133 3 0 4 53.69 2.57 1.7072 -6 0 2 53.73 4.47 1.7060 -3 1 5 53.96 3.36 1.6992 0 4 4 54.22 2.30 1.6918 -2 4 4 54.68 1.23 1.6785 6 1 0 54.79 3.47 1.6755 4 2 3 54.82 1.33 1.6746 2 3 4 55.34 1.73 1.6602 1 5 3 55.78 1.87 1.6480 -6 2 1 55.83 3.17 1.6468 -2 6 1 56.00 2.64 1.6422 -3 2 5 56.23 2.58 1.6360 1 4 4 56.50 1.66 1.6287 3 2 4 56.79 3.97 1.6211 4 5 0 56.94 2.16 1.6173 1 2 5 57.12 5.57 1.6126 4 4 2 57.12 1.24 1.6126 3 4 3 57.18 2.22 1.6109 5 4 0 57.50 3.84 1.6028 -5 2 4 57.57 1.20 1.6011 3 5 2 57.67 1.05 1.5984 -5 4 2 58.04 1.45 1.5891 0 3 5 58.49 4.30 1.5780 4 3 3 58.84 2.61 1.5693 2 1 5 59.35 1.38 1.5572 -3 6 1 59.40 2.85 1.5559 3 6 0 59.44 1.51 1.5550 -6 3 1 59.63 1.86 1.5505 -4 2 5 59.65 1.10 1.5501 -3 3 5 59.96 2.91 1.5428 2 4 4 60.05 4.55 1.5407 6 2 1 60.39 1.48 1.5328 4 0 4 60.54 1.27 1.5294 6 3 0 60.55 3.08 1.5291 1 3 5 60.99 1.59 1.5192 2 2 5 61.09 1.36 1.5169 -5 3 4 61.10 3.30 1.5167 4 1 4 61.56 3.02 1.5065 -4 5 3 61.58 2.42 1.5059 -6 0 4 62.06 1.73 1.4955 -2 1 6 62.41 1.82 1.4880 -2 6 3 62.83 1.89 1.4791 0 7 1 63.01 1.25 1.4751 -3 0 6 63.16 3.09 1.4722 -3 5 4 63.22 2.71 1.4708 -1 7 1 63.52 1.93 1.4646 3 5 3 63.58 1.51 1.4634 5 5 0 64.28 1.53 1.4492 3 1 5 64.36 1.04 1.4475 -6 2 4 64.55 3.25 1.4436 7 1 0 65.05 3.08 1.4338 -3 6 3 65.07 1.79 1.4334 -2 7 1 65.19 1.17 1.4311 -6 4 2 65.22 1.06 1.4305 -7 2 1 65.91 2.26 1.4173 1 1 6 65.93 1.64 1.4169 -5 4 4 66.09 1.65 1.4138 -4 0 6 66.20 1.80 1.4117 2 5 4 67.36 1.45 1.3903 -1 3 6 67.97 1.10 1.3792 -5 3 5 68.09 2.14 1.3770 -7 2 3 68.29 2.74 1.3735 6 4 1 68.31 1.62 1.3732 -3 7 1 68.36 1.01 1.3723 3 7 0 68.68 1.78 1.3667 -2 5 5 68.76 1.49 1.3652 -4 2 6 69.07 1.37 1.3598 -7 3 2 69.57 2.16 1.3513 6 1 3 69.92 1.45 1.3455 7 3 0 70.37 1.09 1.3378 -6 5 1 70.48 1.82 1.3360 -5 0 6 71.01 1.18 1.3275 3 5 4 71.89 3.67 1.3133 -5 5 4 72.12 1.06 1.3098 7 0 2 72.56 1.35 1.3028 -5 4 5 72.64 2.14 1.3016 1 8 0 72.93 1.22 1.2971 6 4 2 73.04 1.99 1.2954 7 3 1 73.18 1.24 1.2934 0 4 6 73.22 1.36 1.2928 -1 8 1 73.44 2.06 1.2894 5 6 1 73.61 1.38 1.2869 -1 1 7 73.67 1.38 1.2860 -3 4 6 74.17 1.19 1.2785 6 5 1 74.46 1.25 1.2742 7 4 0 75.11 2.32 1.2647 0 1 7 75.30 3.05 1.2621 3 1 6 75.38 1.88 1.2609 -2 2 7 75.89 1.46 1.2537 -7 4 3 76.54 1.13 1.2447 -4 4 6 76.81 2.28 1.2410 1 8 2 77.44 2.64 1.2324 -4 7 3 77.71 2.05 1.2289 6 1 4 78.67 1.49 1.2163 6 5 2 79.36 1.38 1.2074 -7 5 2 79.74 2.66 1.2026 -3 3 7 83.42 1.72 1.1586 8 1 2 84.20 1.48 1.1499 -8 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.