Wadsleyite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R090004 Horiuchi H, Sawamoto H American Mineralogist 66 (1981) 568-575 Beta-Mg2SiO4: Single-crystal X-ray diffraction study case 1 CELL PARAMETERS: 5.6949 11.4500 8.2560 90.000 90.000 90.000 SPACE GROUP: Imma ATOM X Y Z OCCUPANCY ISO(B) Mg 0.00000 0.00000 0.00000 1.000 0.455 Mg 0.00000 0.25000 0.97010 1.000 0.409 Mg 0.25000 0.12760 0.25000 1.000 0.424 Si 0.00000 0.11980 0.61680 1.000 0.212 O 0.00000 0.25000 0.21660 1.000 0.375 O 0.00000 0.25000 0.71640 1.000 0.283 O 0.00000 0.99000 0.25580 1.000 0.330 O 0.26150 0.12250 0.99250 1.000 0.335 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 10 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 8.631056282 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 27.81 43.28 3.2084 1 1 2 31.25 13.15 2.8625 0 4 0 31.42 13.11 2.8475 2 0 0 33.49 48.27 2.6758 0 1 3 34.22 55.61 2.6204 2 1 1 35.71 17.69 2.5144 1 3 2 36.25 32.75 2.4779 1 0 3 36.79 91.27 2.4430 1 4 1 38.26 4.20 2.3523 0 4 2 38.40 1.65 2.3439 2 0 2 40.41 12.13 2.2322 0 3 3 40.90 3.15 2.2067 0 5 1 41.03 28.13 2.1998 2 3 1 43.86 33.78 2.0640 0 0 4 44.90 75.94 2.0188 2 4 0 47.53 4.57 1.9132 1 1 4 48.17 3.87 1.8891 1 5 2 48.60 1.94 1.8735 1 4 3 51.95 7.58 1.7603 0 5 3 52.06 1.90 1.7568 2 3 3 52.46 6.96 1.7442 2 5 1 52.93 7.36 1.7298 1 3 4 53.75 5.06 1.7054 3 1 2 54.84 2.23 1.6742 0 4 4 54.94 7.26 1.6711 2 0 4 58.17 7.82 1.5859 1 0 5 58.75 4.06 1.5717 3 3 2 59.12 10.28 1.5626 3 0 3 59.49 14.16 1.5538 3 4 1 61.16 3.97 1.5155 0 3 5 62.76 3.86 1.4804 1 5 4 63.30 4.51 1.4692 1 7 2 64.58 100.00 1.4432 2 4 4 65.18 27.00 1.4312 0 8 0 65.57 27.22 1.4237 4 0 0 65.90 1.38 1.4174 2 1 5 66.50 7.84 1.4061 0 7 3 66.94 4.77 1.3979 2 7 1 67.54 1.29 1.3869 3 1 4 68.05 1.40 1.3777 3 5 2 70.28 3.64 1.3393 0 5 5 70.94 1.60 1.3285 1 1 6 71.97 2.17 1.3121 3 3 4 74.15 1.66 1.2788 2 8 0 74.42 1.75 1.2748 4 4 0 75.29 1.89 1.2622 1 3 6 75.67 7.22 1.2569 4 1 3 76.46 4.52 1.2458 3 0 5 76.93 5.90 1.2394 1 8 3 79.92 2.85 1.2004 4 3 3 80.53 1.45 1.1927 3 5 4 81.02 2.05 1.1868 3 7 2 81.91 5.41 1.1761 0 8 4 82.27 5.30 1.1720 4 0 4 83.76 1.66 1.1548 0 9 3 84.17 4.08 1.1502 2 9 1 88.09 1.11 1.1089 3 1 6 88.28 2.68 1.1070 4 5 3 89.72 1.18 1.0929 5 1 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.