Graftonite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070153 Nord A G, Ericsson T American Mineralogist 67 (1982) 826-832 The cation distribution in synthetic (Fe,Mn)3(PO4)2 graftonite-type solid solutions CELL PARAMETERS: 8.8076 11.5560 6.1396 90.000 99.286 90.000 SPACE GROUP: P2_1/c ATOM X Y Z OCCUPANCY ISO(B) Fe 0.95100 0.12800 0.85400 0.500 0.700 Fe 0.73500 0.05800 0.31400 0.500 0.700 Fe 0.38100 0.20400 0.14200 0.500 0.700 Mn 0.95100 0.12800 0.85400 0.500 0.700 Mn 0.73500 0.05800 0.31400 0.500 0.700 Mn 0.38100 0.20400 0.14200 0.500 0.700 P 0.08300 0.14600 0.37900 1.000 0.500 P 0.62100 0.10000 0.80600 1.000 0.500 O 0.07800 0.06000 0.14700 1.000 1.000 O 0.47100 0.19400 0.81100 1.000 1.000 O 0.92300 0.18800 0.38200 1.000 1.000 O 0.72000 0.11200 0.61300 1.000 1.000 O 0.23300 0.23200 0.33500 1.000 1.000 O 0.70100 0.08100 0.01800 1.000 1.000 O 0.15300 0.05600 0.60100 1.000 1.000 O 0.52700 -0.05100 0.76000 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 10 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 14.30117885 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.18 3.72 8.6922 1 0 0 12.74 1.46 6.9465 1 1 0 18.14 1.93 4.8891 -1 1 1 18.44 3.84 4.8119 1 2 0 20.66 1.07 4.2997 1 1 1 21.25 1.34 4.1815 0 2 1 21.85 8.93 4.0679 2 1 0 24.44 9.74 3.6415 -2 1 1 24.63 1.42 3.6142 1 2 1 25.29 100.00 3.5217 1 3 0 25.65 14.19 3.4732 2 2 0 27.44 4.98 3.2507 0 3 1 28.21 10.68 3.1635 2 1 1 28.47 9.58 3.1351 -1 3 1 29.48 23.11 3.0296 0 0 2 29.62 32.59 3.0160 -1 0 2 30.17 44.77 2.9618 1 3 1 30.50 10.94 2.9305 0 1 2 30.64 28.59 2.9183 -1 1 2 30.86 12.34 2.8974 3 0 0 30.95 10.56 2.8890 0 4 0 31.02 40.60 2.8827 2 3 0 31.29 27.41 2.8584 2 2 1 31.84 5.83 2.8104 3 1 0 32.66 17.50 2.7415 1 4 0 32.84 3.53 2.7273 1 0 2 32.97 71.43 2.7170 -3 1 1 33.21 2.38 2.6979 -2 0 2 33.52 2.45 2.6737 -1 2 2 33.77 22.10 2.6544 1 1 2 34.13 7.31 2.6273 -2 1 2 35.68 1.27 2.5163 -3 2 1 36.43 1.53 2.4663 1 2 2 36.77 8.15 2.4446 -2 2 2 37.32 13.22 2.4096 3 1 1 37.38 5.96 2.4059 2 4 0 37.78 9.61 2.3813 0 3 2 37.89 2.50 2.3747 -1 3 2 38.89 3.09 2.3155 3 3 0 39.03 6.56 2.3079 -2 4 1 39.41 6.21 2.2863 -3 0 2 39.69 1.53 2.2710 2 1 2 39.77 5.96 2.2663 3 2 1 39.85 3.59 2.2624 -3 3 1 40.53 6.81 2.2259 1 3 2 42.03 2.81 2.1499 2 2 2 42.32 8.40 2.1356 4 1 0 42.52 4.95 2.1259 -3 2 2 42.55 3.17 2.1245 -1 5 1 43.77 4.28 2.0681 1 5 1 44.28 4.47 2.0458 3 4 0 44.39 1.50 2.0406 2 5 0 44.55 4.90 2.0340 4 2 0 44.81 2.02 2.0226 -4 2 1 45.71 1.29 1.9850 2 3 2 45.83 3.49 1.9798 -2 5 1 46.17 5.81 1.9661 -3 3 2 46.75 4.97 1.9432 3 0 2 47.12 8.76 1.9288 -2 1 3 47.19 1.69 1.9260 0 6 0 47.32 2.01 1.9209 4 1 1 48.07 2.02 1.8926 4 3 0 48.08 7.07 1.8926 -4 1 2 48.32 1.93 1.8835 -4 3 1 48.41 1.29 1.8804 1 6 0 48.57 5.56 1.8746 3 4 1 49.17 1.31 1.8529 -2 2 3 49.49 2.51 1.8418 3 2 2 49.61 3.22 1.8375 0 5 2 49.67 21.95 1.8355 0 6 1 49.70 3.58 1.8345 -1 5 2 50.30 2.91 1.8139 -1 6 1 50.50 1.63 1.8071 2 4 2 50.51 5.21 1.8068 3 5 0 50.55 1.48 1.8056 1 2 3 50.61 2.90 1.8037 -1 3 3 51.06 5.31 1.7887 0 3 3 51.29 2.01 1.7812 -3 5 1 51.38 1.07 1.7784 1 6 1 51.85 8.08 1.7632 1 5 2 51.93 4.90 1.7608 2 6 0 52.11 9.95 1.7552 -2 5 2 52.65 2.14 1.7384 4 3 1 52.76 4.45 1.7349 3 3 2 52.94 7.87 1.7295 -4 4 1 53.29 2.12 1.7191 5 1 0 53.35 3.40 1.7173 -3 2 3 53.62 9.02 1.7091 2 1 3 55.09 1.03 1.6671 -1 4 3 55.17 2.18 1.6647 5 2 0 55.50 3.79 1.6557 2 2 3 55.51 3.90 1.6553 0 4 3 55.91 1.46 1.6446 4 0 2 56.23 6.18 1.6360 2 5 2 56.52 1.29 1.6282 4 1 2 56.63 1.59 1.6254 -3 5 2 56.84 1.79 1.6198 -2 4 3 57.02 12.43 1.6152 4 4 1 57.24 1.63 1.6094 -5 1 2 57.63 7.17 1.5995 -4 1 3 57.95 2.45 1.5913 -5 3 1 58.22 1.42 1.5845 5 3 0 58.46 2.37 1.5786 -1 7 1 58.50 1.76 1.5778 -4 5 1 59.04 2.59 1.5646 -5 2 2 59.42 4.27 1.5554 -4 2 3 59.85 1.38 1.5454 5 2 1 60.30 6.87 1.5348 -1 0 4 60.51 2.92 1.5300 -1 5 3 60.65 3.20 1.5269 -3 4 3 61.07 11.78 1.5174 3 6 1 61.11 1.84 1.5165 -2 7 1 61.19 5.14 1.5148 0 0 4 61.77 1.40 1.5019 0 1 4 61.97 1.33 1.4974 -5 3 2 62.07 1.65 1.4953 -2 1 4 62.07 7.70 1.4952 -5 4 1 62.23 3.56 1.4918 3 2 3 62.63 2.89 1.4833 -1 2 4 62.64 1.45 1.4830 2 4 3 62.97 1.79 1.4762 -4 5 2 63.00 2.85 1.4754 2 7 1 63.35 1.55 1.4681 1 5 3 63.49 1.60 1.4653 0 2 4 64.15 3.69 1.4518 -6 1 1 64.30 2.71 1.4487 6 0 0 65.02 3.67 1.4344 3 7 0 65.08 2.97 1.4332 3 3 3 65.51 2.44 1.4250 1 8 0 66.30 1.13 1.4097 -4 4 3 66.30 3.30 1.4097 0 3 4 66.71 1.11 1.4022 5 1 2 66.78 3.55 1.4009 -1 6 3 66.91 1.95 1.3984 -3 2 4 66.95 3.89 1.3977 -6 0 2 67.70 2.67 1.3840 2 5 3 68.44 1.10 1.3708 2 8 0 68.51 1.36 1.3696 4 6 1 68.60 2.24 1.3680 -6 3 1 68.85 1.31 1.3636 2 0 4 68.96 3.46 1.3618 3 4 3 69.30 1.12 1.3560 6 3 0 69.33 3.35 1.3554 -1 4 4 69.48 2.61 1.3529 1 6 3 69.59 1.23 1.3509 6 1 1 69.98 1.10 1.3443 2 7 2 70.25 1.18 1.3400 4 5 2 70.34 2.34 1.3384 -3 7 2 71.22 1.63 1.3240 6 2 1 71.81 4.34 1.3145 -3 6 3 72.01 4.27 1.3115 -4 7 1 72.56 3.18 1.3028 -1 8 2 73.61 2.94 1.2868 -5 4 3 73.70 1.40 1.2855 2 3 4 75.24 1.29 1.2630 -2 5 4 75.33 2.27 1.2616 -2 7 3 76.06 1.06 1.2513 -4 7 2 76.22 2.45 1.2491 -1 9 1 76.25 2.45 1.2488 -6 2 3 77.08 1.64 1.2373 1 9 1 77.44 1.08 1.2325 5 6 1 78.63 2.42 1.2168 5 1 3 79.56 1.12 1.2048 6 2 2 79.95 1.70 1.2000 -5 7 1 80.04 1.01 1.1988 3 3 4 81.40 1.37 1.1822 0 9 2 81.41 1.03 1.1821 -3 1 5 82.05 1.37 1.1745 2 5 4 82.15 1.18 1.1733 6 3 2 82.85 2.83 1.1652 -6 6 1 83.02 1.30 1.1632 -7 3 2 83.47 1.11 1.1581 4 0 4 83.79 1.16 1.1545 -4 7 3 84.02 1.27 1.1519 -5 6 3 84.16 1.29 1.1503 5 7 1 84.60 1.56 1.1455 1 10 0 85.66 2.22 1.1340 -4 1 5 86.84 1.43 1.1216 -7 2 3 88.90 1.42 1.1009 2 2 5 89.41 1.08 1.0959 -6 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.