Baricite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R061045 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: 10.0200 13.3400 4.6540 90.000 104.900 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 0.863 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: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 12 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 11.74062907 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.29 33.11 7.8363 1 1 0 13.27 100.00 6.6700 0 2 0 18.32 4.80 4.8415 2 0 0 20.62 13.23 4.3068 -1 1 1 22.00 1.63 4.0410 1 3 0 22.69 4.07 3.9181 2 2 0 23.28 8.64 3.8213 -2 0 1 23.86 1.44 3.7290 0 2 1 24.79 3.32 3.5914 1 1 1 26.73 1.74 3.3350 0 4 0 28.06 19.11 3.1803 -1 3 1 28.45 7.00 3.1372 3 1 0 30.39 17.90 2.9409 -3 1 1 30.41 14.06 2.9397 2 0 1 32.60 3.26 2.7465 2 4 0 33.31 18.94 2.6900 2 2 1 33.45 17.17 2.6789 0 4 1 34.33 4.50 2.6121 3 3 0 35.73 24.16 2.5127 -2 4 1 35.99 1.84 2.4955 -3 3 1 37.14 5.55 2.4208 4 0 0 37.39 9.35 2.4053 -4 0 1 38.89 1.11 2.3158 3 1 1 39.14 2.81 2.3016 -1 5 1 39.32 2.44 2.2916 -1 1 2 39.84 2.10 2.2627 -4 2 1 40.10 3.34 2.2488 0 0 2 40.92 11.70 2.2053 2 4 1 41.62 4.16 2.1698 1 5 1 41.96 1.53 2.1534 -2 2 2 43.25 1.24 2.0920 -3 1 2 44.03 2.95 2.0564 3 5 0 44.15 3.22 2.0513 1 1 2 45.51 2.66 1.9931 0 6 1 46.54 2.61 1.9513 -5 1 1 46.55 2.85 1.9508 -4 4 1 47.30 3.27 1.9217 -2 6 1 47.44 1.65 1.9165 5 1 0 47.55 3.10 1.9123 -3 3 2 47.59 3.66 1.9107 -4 0 2 48.39 4.72 1.8811 1 3 2 48.70 1.13 1.8698 1 7 0 48.85 2.23 1.8645 2 0 2 50.63 1.49 1.8030 -5 3 1 51.83 1.89 1.7641 3 5 1 52.03 1.05 1.7578 -1 7 1 52.17 1.17 1.7534 -1 5 2 55.07 5.37 1.6675 0 8 0 55.38 5.62 1.6589 -3 5 2 56.14 5.57 1.6384 1 5 2 56.55 1.11 1.6275 2 4 2 56.81 1.03 1.6207 5 1 1 58.16 3.12 1.5861 -5 5 1 58.87 2.89 1.5686 6 2 0 58.93 3.41 1.5673 5 5 0 60.40 1.88 1.5327 5 3 1 61.51 2.96 1.5076 -6 0 2 62.47 3.56 1.4867 -6 4 1 63.06 1.51 1.4742 -1 7 2 63.27 4.40 1.4699 4 0 2 63.87 1.79 1.4575 -1 3 3 64.22 1.81 1.4504 2 8 1 65.82 1.16 1.4190 1 1 3 66.56 2.46 1.4049 -2 4 3 68.64 1.33 1.3674 0 4 3 70.51 2.66 1.3355 -1 5 3 70.61 2.94 1.3340 0 10 0 70.81 1.14 1.3306 -6 6 1 70.84 2.27 1.3302 -3 9 1 71.56 1.33 1.3186 -3 5 3 77.58 1.90 1.2306 7 1 1 77.77 1.87 1.2280 7 5 0 78.78 1.39 1.2148 2 10 1 83.03 1.44 1.1631 -2 0 4 87.16 1.24 1.1183 -6 8 2 88.72 1.20 1.1026 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.