Strunzite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100079 Fanfani L, Tomassini M, Zanazzi P F, Zanzari A R Tschermaks Mineralogische und Petrographische Mitteilungen 25 (1978) 77-87 The crystal structure of strunzite, a contribution to the crystal chemistry of basic ferric-manganous hydrated phosphates Locality: Big Chief mine, Glendale, South Dakota _database_code_amcsd 0015670 CELL PARAMETERS: 10.0510 9.8160 7.3100 90.170 98.440 117.440 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Mn 0.50370 0.33380 0.24450 1.000 0.930 Fe -0.03070 0.24350 0.13730 1.000 0.980 Fe 0.02600 -0.22900 0.36300 1.000 1.040 P -0.18640 0.46640 0.06070 1.000 0.830 P 0.19170 0.15310 0.43420 1.000 0.670 O -0.34810 0.42560 0.06670 1.000 2.500 O -0.17580 0.31910 0.03120 1.000 1.500 O -0.08530 -0.44450 0.24580 1.000 1.100 O -0.14070 -0.43160 -0.10440 1.000 1.500 O 0.10000 0.15080 0.24540 1.000 1.100 O 0.15080 -0.01330 0.47830 1.000 1.200 O 0.35490 0.24300 0.42510 1.000 2.100 O 0.16060 0.22890 0.59450 1.000 1.200 OH -0.04080 0.30840 0.39260 1.000 1.100 OH 0.03470 -0.15240 0.11150 1.000 1.400 Wa 0.31380 0.25110 0.00970 1.000 1.400 Wa 0.31220 -0.43510 0.51710 1.000 1.800 Wa 0.48930 -0.45200 0.25800 1.000 1.900 Wa -0.47630 0.12300 0.19250 1.000 5.300 Wa 0.22890 -0.23060 0.33380 1.000 1.400 Wa -0.22410 0.03870 0.16770 1.000 1.400 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 7 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 11.79149436 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.06 100.00 8.7951 1 0 0 10.19 23.41 8.6834 0 1 0 10.46 19.11 8.4581 -1 1 0 15.33 1.14 5.7790 0 -1 1 16.60 45.27 5.3389 0 1 1 16.80 47.82 5.2759 1 -1 1 17.38 8.19 5.1030 1 1 0 17.86 6.49 4.9660 -2 1 0 18.08 3.86 4.9056 -1 2 0 19.82 2.81 4.4804 -1 -1 1 20.19 14.38 4.3975 2 0 0 20.22 1.06 4.3922 -2 1 1 20.46 27.30 4.3417 0 2 0 21.01 23.89 4.2290 -2 2 0 21.89 6.01 4.0596 -1 2 1 21.94 4.74 4.0512 1 -2 1 22.76 1.16 3.9077 1 1 1 23.15 1.26 3.8415 2 -1 1 24.78 3.92 3.5935 0 2 1 25.28 3.52 3.5233 2 -2 1 26.00 13.98 3.4275 0 -1 2 26.07 9.31 3.4182 -1 1 2 26.80 17.46 3.3259 1 2 0 27.55 13.07 3.2375 0 1 2 27.57 18.65 3.2352 -2 -1 1 27.59 11.17 3.2333 -1 3 0 27.66 17.39 3.2253 -3 2 0 27.69 10.18 3.2212 1 -1 2 27.90 13.61 3.1976 -2 3 0 28.08 14.57 3.1782 -3 1 1 28.29 15.53 3.1550 1 0 2 28.45 1.28 3.1369 -2 1 2 29.30 25.46 3.0479 -2 0 2 30.49 1.01 2.9317 3 0 0 30.63 2.47 2.9192 -1 3 1 30.75 3.75 2.9074 -1 2 2 30.82 2.06 2.9012 1 -2 2 30.89 2.16 2.8945 0 3 0 30.96 2.11 2.8883 2 -3 1 30.99 3.67 2.8861 1 2 1 31.77 3.88 2.8167 3 -2 1 32.41 6.62 2.7621 1 1 2 32.72 8.78 2.7371 2 -1 2 33.15 1.40 2.7020 -3 3 1 33.55 10.25 2.6708 -2 -1 2 33.96 4.37 2.6396 -3 1 2 34.72 8.85 2.5839 2 0 2 35.17 5.46 2.5515 2 2 0 36.12 2.22 2.4864 -3 0 2 36.18 6.84 2.4830 -4 2 0 36.64 2.33 2.4528 -2 4 0 36.64 1.32 2.4526 3 1 0 36.74 1.44 2.4461 -3 -1 1 36.81 8.00 2.4414 1 -3 2 36.97 4.26 2.4314 -2 3 2 37.29 5.51 2.4111 -4 1 1 37.77 3.44 2.3818 -1 4 0 37.91 4.69 2.3733 -1 3 2 38.15 1.73 2.3592 -4 3 0 38.23 1.84 2.3541 2 -3 2 38.29 3.35 2.3509 0 -3 2 38.40 2.96 2.3440 -3 4 0 38.75 7.95 2.3236 -2 4 1 38.81 4.13 2.3205 2 -4 1 38.91 4.51 2.3148 -3 3 2 39.07 1.68 2.3054 -1 -1 3 39.75 1.20 2.2678 3 -2 2 40.74 2.72 2.2148 3 1 1 41.05 4.95 2.1988 4 0 0 41.27 2.27 2.1874 4 -1 1 41.47 3.55 2.1776 0 -2 3 41.60 3.76 2.1709 0 4 0 41.68 4.75 2.1668 -2 2 3 42.51 2.04 2.1264 0 -4 1 42.76 2.17 2.1145 -4 4 0 43.61 3.25 2.0756 -4 4 1 43.64 2.34 2.0742 -1 -2 3 43.91 1.36 2.0621 1 1 3 44.13 1.70 2.0524 -3 2 3 44.15 1.54 2.0511 2 -1 3 44.55 2.64 2.0340 -4 0 2 44.55 1.75 2.0339 0 4 1 44.64 1.88 2.0300 3 2 0 44.80 1.41 2.0230 2 3 0 44.90 2.83 2.0189 -2 -3 1 45.70 2.48 1.9854 4 -4 1 45.74 2.67 1.9837 -5 2 0 46.30 1.40 1.9611 -5 3 1 46.40 1.32 1.9568 -2 5 0 46.74 1.55 1.9436 -3 5 0 47.40 7.45 1.9178 1 3 2 47.60 3.01 1.9105 1 4 0 47.73 1.30 1.9055 -5 1 0 47.95 1.08 1.8973 -3 -2 2 48.14 1.32 1.8904 -2 -2 3 48.40 1.85 1.8807 -2 5 1 48.46 7.03 1.8785 4 -3 2 48.63 1.21 1.8723 4 -1 2 48.78 1.55 1.8669 3 -5 1 48.94 1.09 1.8610 -5 2 2 49.16 2.21 1.8533 -5 4 0 49.84 2.28 1.8298 -4 -1 2 49.88 1.74 1.8284 -5 3 2 49.94 5.77 1.8261 -1 0 4 50.13 2.06 1.8198 2 1 3 50.39 1.22 1.8111 -5 1 2 50.48 2.63 1.8080 3 -1 3 50.82 1.10 1.7968 0 4 2 50.92 2.86 1.7932 0 -1 4 50.94 1.58 1.7926 -1 1 4 51.70 2.63 1.7681 -1 -4 2 51.90 1.08 1.7616 4 -4 2 52.23 1.68 1.7515 4 0 2 52.96 1.18 1.7291 1 -4 3 53.09 2.28 1.7250 -5 4 2 53.25 1.73 1.7202 0 -5 1 53.32 1.01 1.7183 -3 4 3 53.60 3.09 1.7100 1 0 4 53.85 1.18 1.7025 -2 -1 4 53.87 1.08 1.7019 1 -5 2 53.90 1.14 1.7010 3 3 0 54.19 2.66 1.6926 -1 2 4 54.27 2.87 1.6901 1 -2 4 54.67 1.04 1.6790 -4 5 2 55.20 1.60 1.6640 -3 0 4 55.51 1.18 1.6553 -6 3 0 56.04 1.87 1.6411 -4 -1 3 56.26 3.47 1.6352 -3 6 0 56.39 3.89 1.6317 -1 5 2 56.53 1.19 1.6279 -5 1 3 56.88 3.08 1.6188 0 2 4 56.93 1.83 1.6176 -4 -2 2 56.98 3.63 1.6161 0 -5 2 57.19 2.54 1.6106 2 -2 4 57.37 2.74 1.6062 4 -5 2 57.39 1.64 1.6057 -5 -1 1 58.01 1.29 1.5899 -6 1 1 58.04 2.20 1.5891 -6 2 2 58.16 3.92 1.5861 5 1 0 58.32 3.85 1.5821 -5 5 2 58.48 1.54 1.5783 -3 3 4 58.79 2.56 1.5706 -6 1 0 58.80 1.52 1.5703 1 5 0 59.66 1.29 1.5499 0 4 3 60.78 1.35 1.5239 -6 5 0 61.06 1.61 1.5175 0 5 2 61.51 1.35 1.5075 1 2 4 62.03 1.52 1.4961 3 -2 4 62.50 1.71 1.4860 5 0 2 62.55 1.26 1.4851 5 -5 2 63.46 2.35 1.4658 6 0 0 63.70 1.03 1.4608 6 -5 1 64.10 2.78 1.4528 1 -6 2 64.21 1.35 1.4506 2 -4 4 64.69 1.18 1.4409 0 -1 5 64.70 1.15 1.4407 -1 1 5 64.75 4.17 1.4398 -4 -1 4 65.14 1.30 1.4321 3 0 4 65.20 2.00 1.4310 -5 1 4 65.28 1.55 1.4294 -5 6 2 65.30 1.14 1.4290 6 -3 2 67.46 1.39 1.3884 1 5 2 68.37 1.06 1.3721 -3 7 1 69.39 1.15 1.3544 6 -5 2 73.14 1.04 1.2940 -7 4 3 73.73 1.11 1.2850 6 0 2 75.15 1.15 1.2642 5 3 0 77.11 1.03 1.2369 -8 3 0 78.33 1.12 1.2207 2 -6 4 82.85 1.77 1.1652 5 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.