Vivianite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050076 Takagi S, Mathew M, Brown W E American Mineralogist 71 (1986) 1229-1233 Crystal structures of bobierrite and synthetic Mg3(PO4)2.8H2O CELL PARAMETERS: 10.1290 13.4160 4.6810 90.000 104.760 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Mg 0.00000 0.00000 0.00000 1.000 0.637 Mg 0.00000 0.39054 0.00000 1.000 0.720 P 0.31452 0.00000 0.38430 1.000 0.656 O 0.15750 0.00000 0.37090 1.000 0.932 O 0.39470 0.00000 0.71440 1.000 0.862 O 0.34550 0.09560 0.23030 1.000 0.932 O 0.40130 0.38660 0.19160 1.000 1.237 O 0.10100 0.27870 0.28020 1.000 1.497 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 12 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 11.36308160 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.18 33.38 7.9108 1 1 0 13.20 100.00 6.7080 0 2 0 18.11 4.87 4.8974 2 0 0 20.50 13.27 4.3318 -1 1 1 21.85 1.64 4.0680 1 3 0 22.48 4.13 3.9554 2 2 0 23.11 8.70 3.8486 -2 0 1 23.71 1.45 3.7522 0 2 1 24.59 3.35 3.6208 1 1 1 26.58 1.74 3.3540 0 4 0 27.89 19.18 3.1986 -1 3 1 28.13 7.15 3.1723 3 1 0 30.10 14.28 2.9685 2 0 1 30.13 18.14 2.9657 -3 1 1 32.35 3.29 2.7672 2 4 0 33.00 19.25 2.7145 2 2 1 33.25 17.28 2.6948 0 4 1 34.00 4.57 2.6369 3 3 0 35.50 24.41 2.5285 -2 4 1 35.71 1.86 2.5146 -3 3 1 36.70 5.75 2.4487 4 0 0 37.02 9.52 2.4281 -4 0 1 38.47 1.14 2.3399 3 1 1 38.91 2.81 2.3148 -1 5 1 39.08 2.45 2.3050 -1 1 2 39.47 2.13 2.2832 -4 2 1 39.83 3.39 2.2633 0 0 2 40.58 11.93 2.2229 2 4 1 41.34 4.20 2.1842 1 5 1 41.70 1.53 2.1659 -2 2 2 42.96 1.26 2.1052 -3 1 2 43.66 2.98 2.0730 3 5 0 43.81 3.27 2.0664 1 1 2 45.23 2.68 2.0047 0 6 1 46.06 2.69 1.9707 -5 1 1 46.15 2.91 1.9668 -4 4 1 46.87 1.69 1.9384 5 1 0 47.00 3.31 1.9334 -2 6 1 47.23 3.72 1.9243 -4 0 2 47.24 3.13 1.9242 -3 3 2 48.02 4.78 1.8945 1 3 2 48.39 1.15 1.8809 1 7 0 48.41 2.28 1.8802 2 0 2 50.13 1.52 1.8199 -5 3 1 51.36 1.93 1.7789 3 5 1 51.71 1.06 1.7678 -1 7 1 51.85 1.19 1.7635 -1 5 2 54.74 5.42 1.6770 0 8 0 55.02 5.69 1.6690 -3 5 2 55.73 5.65 1.6495 1 5 2 56.08 1.12 1.6400 2 4 2 56.13 1.07 1.6387 5 1 1 57.63 3.18 1.5996 -5 5 1 58.16 2.99 1.5862 6 2 0 58.32 3.53 1.5822 5 5 0 59.70 1.93 1.5488 5 3 1 60.93 3.04 1.5205 -6 0 2 61.82 3.67 1.5008 -6 4 1 62.58 4.54 1.4842 4 0 2 62.66 1.53 1.4827 -1 7 2 63.45 1.81 1.4662 -1 3 3 63.74 1.84 1.4601 2 8 1 65.30 1.17 1.4290 1 1 3 66.13 2.49 1.4130 -2 4 3 68.15 1.35 1.3760 0 4 3 70.04 2.70 1.3434 -1 5 3 70.11 1.17 1.3422 -6 6 1 70.15 2.98 1.3416 0 10 0 70.33 2.30 1.3385 -3 9 1 71.08 1.35 1.3263 -3 5 3 76.55 1.97 1.2446 7 1 1 76.83 1.93 1.2407 7 5 0 78.19 1.41 1.2225 2 10 1 82.44 1.46 1.1699 -2 0 4 86.38 1.26 1.1264 -6 8 2 87.83 1.22 1.1114 4 8 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.