Newberyite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R050513 Abbona F, Boistelle R, Haser R Acta Crystallographica B35 (1979) 2514-2518 Hydrogen bonding in MgHPO4*3H2O (newberyite) CELL PARAMETERS: 10.20968 10.67815 10.00970 90.00000 90.00000 90.00000 SPACE GROUP: Pbca X-RAY WAVELENGTH: 1.541838 2-THETA INTENSITY D-SPACING H K L 14.87 91.19 5.9397 1 1 1 16.56 53.56 5.3391 0 2 0 17.32 5.66 5.1048 2 0 0 18.79 89.14 4.7108 0 2 1 19.22 23.05 4.6056 2 1 0 19.70 33.94 4.4939 1 0 2 21.40 32.18 4.1421 1 1 2 24.07 10.65 3.6897 2 2 0 24.32 15.70 3.6514 0 2 2 24.86 12.03 3.5738 2 0 2 25.68 100.00 3.4620 2 2 1 25.86 15.76 3.4381 1 2 2 26.24 2.30 3.3890 2 1 2 27.95 15.99 3.1862 1 3 1 28.89 83.10 3.0847 3 1 1 29.32 85.55 3.0402 1 1 3 30.03 3.81 2.9699 2 2 2 31.56 1.69 2.8295 0 2 3 31.74 23.35 2.8142 3 0 2 31.87 4.53 2.8029 2 3 1 32.02 32.35 2.7902 1 3 2 32.85 42.51 2.7213 3 1 2 33.09 11.34 2.7020 2 1 3 33.51 4.98 2.6695 0 4 0 34.72 54.98 2.5794 0 4 1 35.10 3.73 2.5524 4 0 0 35.53 16.20 2.5219 2 3 2 35.85 8.03 2.5008 1 4 1 36.12 4.47 2.4825 4 1 0 36.92 11.27 2.4305 1 0 4 37.25 15.40 2.4095 4 1 1 37.59 16.65 2.3887 3 3 1 37.90 14.68 2.3699 1 1 4 37.97 8.76 2.3656 2 4 0 39.05 2.91 2.3028 4 2 0 39.19 2.67 2.2951 1 4 2 39.57 4.35 2.2738 4 0 2 40.11 1.10 2.2442 4 2 1 40.50 2.02 2.2239 4 1 2 40.72 3.75 2.2121 1 2 4 40.81 5.83 2.2076 3 3 2 40.98 8.29 2.1988 2 1 4 41.01 6.60 2.1972 2 3 3 41.43 10.44 2.1757 3 2 3 42.19 7.44 2.1387 2 4 2 43.18 11.71 2.0920 4 2 2 43.64 9.64 2.0710 2 2 4 43.98 5.16 2.0557 3 4 1 44.28 16.18 2.0423 1 4 3 44.54 2.53 2.0311 4 3 1 45.73 5.26 1.9811 3 1 4 45.76 2.38 1.9799 3 3 3 46.00 3.09 1.9702 2 5 0 46.09 1.53 1.9665 5 1 1 46.84 2.02 1.9368 3 4 2 46.96 3.71 1.9321 1 1 5 46.93 2.01 1.9331 2 5 1 47.04 20.24 1.9289 1 5 2 47.80 1.11 1.9000 2 3 4 47.93 4.28 1.8952 4 2 3 48.18 11.85 1.8861 3 2 4 48.49 3.17 1.8745 0 2 5 48.52 10.59 1.8735 5 2 1 48.85 1.02 1.8617 5 1 2 50.72 15.96 1.7972 1 4 4 51.04 6.14 1.7869 4 0 4 51.52 1.10 1.7714 1 5 3 51.80 6.00 1.7624 4 1 4 51.89 5.11 1.7596 2 2 5 52.06 11.10 1.7542 3 3 4 52.81 2.13 1.7310 4 4 2 53.21 5.67 1.7191 2 4 4 53.21 4.14 1.7190 5 1 3 53.73 1.50 1.7034 3 1 5 53.80 2.59 1.7016 6 0 0 53.97 1.44 1.6965 2 5 3 54.53 13.40 1.6805 2 6 0 54.53 6.52 1.6804 6 1 0 54.96 1.68 1.6683 0 0 6 54.91 8.96 1.6697 5 3 2 55.36 4.92 1.6573 2 6 1 55.36 3.75 1.6572 6 1 1 55.45 4.59 1.6547 1 6 2 56.07 10.14 1.6379 4 5 0 56.88 2.19 1.6164 4 5 1 57.09 1.48 1.6110 6 0 2 57.35 3.30 1.6043 1 5 4 57.51 6.05 1.6004 6 2 1 57.64 3.24 1.5970 4 3 4 57.83 6.18 1.5924 0 2 6 58.09 7.92 1.5858 2 0 6 58.24 2.88 1.5821 5 0 4 58.79 1.71 1.5685 2 1 6 58.94 8.28 1.5650 5 1 4 58.96 1.24 1.5644 5 3 3 59.28 2.27 1.5567 4 5 2 59.65 1.47 1.5480 2 5 4 60.20 1.53 1.5352 6 3 0 60.86 1.87 1.5201 2 2 6 61.57 2.06 1.5042 3 6 2 61.72 1.55 1.5009 2 6 3 62.14 7.09 1.4919 1 7 1 63.28 1.87 1.4677 6 3 2 63.36 1.38 1.4660 3 5 4 63.57 2.10 1.4616 2 7 0 64.22 1.59 1.4485 2 3 6 64.41 3.43 1.4446 4 6 1 64.62 1.19 1.4405 4 3 5 64.90 1.19 1.4349 6 4 0 65.94 8.00 1.4147 0 4 6 65.90 6.43 1.4156 5 5 2 66.35 2.62 1.4071 6 0 4 66.52 2.75 1.4038 1 1 7 66.57 1.20 1.4030 2 7 2 66.71 1.77 1.4003 7 0 2 66.92 1.63 1.3965 4 0 6 67.00 1.27 1.3951 6 1 4 67.36 7.15 1.3884 7 1 2 67.57 1.85 1.3847 4 1 6 67.79 1.44 1.3807 3 3 6 67.78 3.77 1.3809 5 2 5 68.12 3.51 1.3747 1 7 3 68.92 1.14 1.3607 6 2 4 69.16 1.52 1.3566 4 4 5 70.08 1.72 1.3411 3 7 2 70.55 1.39 1.3333 2 2 7 70.74 5.10 1.3301 0 6 5 70.76 1.54 1.3297 5 6 1 70.99 4.36 1.3261 7 1 3 71.48 2.48 1.3182 6 4 3 71.63 5.18 1.3158 1 3 7 72.03 2.77 1.3094 4 7 0 72.91 2.00 1.2959 5 6 2 73.48 2.40 1.2871 2 6 5 73.68 1.55 1.2842 2 3 7 73.65 1.76 1.2847 3 7 3 73.99 1.38 1.2795 1 8 2 74.67 1.47 1.2696 7 4 1 74.87 1.73 1.2668 4 7 2 75.34 4.45 1.2599 6 2 5 75.33 1.03 1.2601 7 0 4 75.97 4.40 1.2511 7 3 3 76.02 1.05 1.2504 2 8 2 76.63 1.12 1.2419 1 0 8 76.97 1.14 1.2374 4 4 6 77.02 1.32 1.2366 8 0 2 77.24 4.34 1.2336 1 1 8 77.49 1.78 1.2303 1 8 3 78.21 2.56 1.2207 6 6 1 78.49 1.91 1.2171 0 6 6 78.64 1.08 1.2152 2 0 8 79.24 1.11 1.2074 2 1 8 79.45 1.07 1.2049 1 7 5 79.73 1.54 1.2013 8 3 0 81.24 2.20 1.1828 4 8 0 81.66 2.27 1.1777 0 8 4 82.32 2.15 1.1700 1 8 4 83.95 2.75 1.1514 8 4 0 84.29 1.26 1.1475 5 7 3 84.61 1.01 1.1441 5 2 7 85.94 1.05 1.1297 6 3 6 89.05 1.01 1.0981 5 7 4 89.55 1.35 1.0933 3 9 2 89.55 1.35 1.0933 3 9 2 XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.