Laueite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060013 Moore P B American Mineralogist 50 (1965) 1884-1892 The crystal structure of laueite, MnFe2(OH)2(PO4)2(H2O)6.2H2O CELL PARAMETERS: 5.3420 10.6500 7.2090 107.960 111.540 71.740 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Mn 0.00000 0.00000 0.00000 1.000 1.750 Fe 0.00000 0.50000 0.00000 1.000 0.710 Fe 0.00000 0.50000 0.50000 1.000 0.680 P 0.34600 0.67000 0.92790 1.000 0.780 O 0.22810 0.11210 0.96200 1.000 1.980 O 0.24260 0.00460 0.32180 1.000 3.000 O 0.15520 0.50090 0.29520 1.000 1.300 O 0.16660 0.65390 0.04100 1.000 0.900 Wa 0.26180 0.80160 0.50760 1.000 2.550 O 0.27170 0.81880 0.90570 1.000 1.340 O 0.34440 0.36730 0.95010 1.000 1.020 O 0.29760 0.58000 0.71220 1.000 0.990 O 0.24330 0.30720 0.55070 1.000 1.340 X-RAY WAVELENGTHS: 1.540562 1.544390 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 9 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 15.25098498 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.95 / 8.98 100.00 / 50.00 9.8685 0 1 0 13.52 / 13.56 47.05 / 23.53 6.5430 0 0 1 14.50 / 14.54 6.45 / 3.22 6.1030 0 -1 1 17.96 / 18.01 22.83 / 11.41 4.9343 0 2 0 17.98 / 18.02 21.71 / 10.86 4.9296 -1 -1 1 18.31 / 18.36 25.95 / 12.98 4.8402 1 0 0 18.49 / 18.53 1.51 / 0.76 4.7955 1 1 0 20.95 / 21.00 3.62 / 1.81 4.2369 -1 -2 1 22.19 / 22.25 14.34 / 7.17 4.0025 -1 1 0 22.62 / 22.68 23.47 / 11.73 3.9278 1 2 0 24.13 / 24.19 6.27 / 3.14 3.6848 -1 1 1 24.84 / 24.91 1.10 / 0.55 3.5808 0 2 1 25.95 / 26.01 1.80 / 0.90 3.4309 1 0 1 26.04 / 26.10 2.74 / 1.37 3.4192 -1 -1 2 27.10 / 27.17 4.83 / 2.41 3.2874 1 1 1 27.22 / 27.29 16.53 / 8.27 3.2736 -1 -2 2 27.24 / 27.31 42.41 / 21.21 3.2715 0 0 2 27.53 / 27.60 9.56 / 4.78 3.2370 0 -3 1 27.95 / 28.02 1.14 / 0.57 3.1896 -1 0 2 28.58 / 28.65 22.81 / 11.41 3.1205 -1 2 0 29.14 / 29.22 7.16 / 3.58 3.0615 1 3 0 30.59 / 30.67 2.65 / 1.33 2.9203 0 1 2 31.04 / 31.12 3.91 / 1.96 2.8790 1 2 1 31.04 / 31.12 13.38 / 6.69 2.8784 -1 2 1 31.17 / 31.25 5.42 / 2.71 2.8674 -1 -3 2 32.43 / 32.51 2.85 / 1.43 2.7586 1 -2 1 32.45 / 32.53 1.65 / 0.82 2.7567 -1 1 2 33.02 / 33.10 3.31 / 1.66 2.7106 0 3 1 34.13 / 34.22 1.14 / 0.57 2.6245 0 -3 2 34.29 / 34.37 14.26 / 7.13 2.6133 -1 -4 1 35.46 / 35.55 4.28 / 2.14 2.5296 -2 0 1 35.95 / 36.05 3.64 / 1.82 2.4958 0 -4 1 36.13 / 36.22 2.20 / 1.10 2.4840 2 1 0 36.30 / 36.39 1.31 / 0.65 2.4730 -1 3 0 36.39 / 36.48 2.84 / 1.42 2.4671 0 4 0 36.42 / 36.52 6.24 / 3.12 2.4648 -2 -2 2 36.62 / 36.71 3.52 / 1.76 2.4522 -2 -1 2 36.93 / 37.03 2.97 / 1.49 2.4318 1 4 0 37.09 / 37.18 2.46 / 1.23 2.4220 -1 -4 2 37.12 / 37.21 1.24 / 0.62 2.4201 2 0 0 37.48 / 37.57 7.10 / 3.55 2.3978 2 2 0 37.48 / 37.57 9.52 / 4.76 2.3977 1 0 2 38.53 / 38.63 2.04 / 1.02 2.3348 -2 -3 2 38.74 / 38.84 2.67 / 1.34 2.3223 -1 2 2 39.08 / 39.18 3.01 / 1.51 2.3031 -2 0 2 40.67 / 40.77 1.26 / 0.63 2.2168 0 -4 2 41.01 / 41.12 4.18 / 2.09 2.1988 1 -2 2 41.36 / 41.47 2.50 / 1.25 2.1810 0 0 3 41.40 / 41.51 4.93 / 2.47 2.1789 0 -2 3 42.13 / 42.24 3.22 / 1.61 2.1433 -2 -4 1 42.64 / 42.76 2.42 / 1.21 2.1184 -2 -4 2 42.68 / 42.79 4.51 / 2.26 2.1167 1 2 2 43.36 / 43.47 3.16 / 1.58 2.0851 -2 -2 3 43.36 / 43.48 1.91 / 0.96 2.0850 2 1 1 43.97 / 44.09 1.15 / 0.58 2.0574 -1 1 3 44.46 / 44.58 1.04 / 0.52 2.0360 -1 -4 3 44.54 / 44.66 2.21 / 1.11 2.0324 -2 -3 3 44.81 / 44.93 8.67 / 4.34 2.0209 -1 4 0 45.28 / 45.39 4.58 / 2.29 2.0012 -2 2 0 45.50 / 45.62 1.50 / 0.75 1.9919 1 5 0 46.19 / 46.31 3.31 / 1.66 1.9639 2 4 0 46.25 / 46.38 1.24 / 0.62 1.9611 1 -4 1 47.98 / 48.11 1.74 / 0.87 1.8945 1 3 2 48.32 / 48.45 1.23 / 0.61 1.8819 0 -5 2 49.43 / 49.56 4.78 / 2.39 1.8424 -2 2 2 49.63 / 49.76 2.49 / 1.25 1.8354 -1 2 3 50.25 / 50.38 1.12 / 0.56 1.8141 -1 -5 3 50.68 / 50.81 3.31 / 1.65 1.7999 -1 -2 4 50.76 / 50.90 2.28 / 1.14 1.7971 1 0 3 51.77 / 51.91 1.08 / 0.54 1.7643 -3 -2 2 51.83 / 51.97 1.33 / 0.67 1.7626 1 -4 2 52.51 / 52.65 1.06 / 0.53 1.7413 -1 -6 2 53.44 / 53.59 1.30 / 0.65 1.7130 -1 0 4 53.56 / 53.70 1.93 / 0.96 1.7096 -2 -2 4 54.60 / 54.75 1.62 / 0.81 1.6793 1 4 2 54.61 / 54.76 2.23 / 1.11 1.6791 -1 4 2 54.68 / 54.83 2.84 / 1.42 1.6771 1 6 0 54.84 / 54.99 1.28 / 0.64 1.6727 -2 -1 4 54.95 / 55.10 2.21 / 1.11 1.6696 -1 -4 4 55.10 / 55.25 5.09 / 2.55 1.6654 -3 -4 2 55.32 / 55.47 2.52 / 1.26 1.6593 -2 -6 2 55.36 / 55.51 1.41 / 0.70 1.6583 0 3 3 55.40 / 55.55 2.35 / 1.17 1.6572 -3 0 2 55.85 / 56.00 5.17 / 2.59 1.6448 0 6 0 55.89 / 56.04 3.99 / 1.99 1.6437 2 2 2 56.15 / 56.30 1.38 / 0.69 1.6368 -2 -4 4 56.19 / 56.34 2.75 / 1.38 1.6357 0 0 4 56.84 / 56.99 2.28 / 1.14 1.6185 0 -6 2 57.04 / 57.19 2.30 / 1.15 1.6134 3 0 0 57.16 / 57.32 1.38 / 0.69 1.6102 -3 -1 3 57.64 / 57.80 5.29 / 2.64 1.5979 2 -2 2 57.76 / 57.92 2.77 / 1.38 1.5948 -2 0 4 59.17 / 59.33 1.60 / 0.80 1.5602 -2 4 0 60.64 / 60.81 1.16 / 0.58 1.5257 0 -4 4 61.05 / 61.22 1.85 / 0.92 1.5165 3 4 0 61.83 / 62.00 1.26 / 0.63 1.4993 2 -4 1 62.61 / 62.78 1.09 / 0.55 1.4825 -1 2 4 63.68 / 63.86 1.39 / 0.69 1.4601 0 2 4 63.99 / 64.17 1.29 / 0.64 1.4538 -3 -4 4 64.70 / 64.88 1.80 / 0.90 1.4395 2 4 2 64.72 / 64.90 1.07 / 0.53 1.4392 -2 4 2 65.00 / 65.18 2.77 / 1.39 1.4337 -2 -6 4 65.19 / 65.38 1.48 / 0.74 1.4298 -3 2 2 65.33 / 65.51 2.10 / 1.05 1.4272 -1 -6 4 65.41 / 65.60 1.34 / 0.67 1.4256 1 0 4 67.90 / 68.09 1.82 / 0.91 1.3793 2 -4 2 69.27 / 69.47 1.57 / 0.79 1.3553 0 6 2 70.63 / 70.83 1.56 / 0.78 1.3325 -4 -3 2 70.64 / 70.84 1.34 / 0.67 1.3324 -4 -2 2 70.80 / 71.00 1.18 / 0.59 1.3297 -2 0 5 70.98 / 71.19 1.39 / 0.70 1.3267 1 6 2 72.10 / 72.30 1.01 / 0.51 1.3090 -4 -4 2 76.88 / 77.11 1.66 / 0.83 1.2390 -1 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.