Buddingtonite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R061115 Mookherjee M, Redfern S A T, Swainson I, Harlov D E Physics and Chemistry of Minerals 31 (2004) 643-649 Low-temperature behaviour of ammonium ion in buddingtonite [N(D/H)4AlSi3O8] from neutron powder diffraction Sample: T = 11 K CELL PARAMETERS: 8.791800 13.11080 7.204700 90.00000 116.0970 90.00000 SPACE GROUP: C2/m X-RAY WAVELENGTH: 1.541838 2-THETA INTENSITY D-SPACING H K L 13.09 9.60 6.7626 1 1 0 13.57 51.22 6.5241 0 2 0 13.69 19.48 6.4641 0 0 1 14.97 33.46 5.9138 -1 1 1 20.53 100.00 4.3236 -2 0 1 22.30 39.20 3.9840 1 1 1 23.33 72.49 3.8109 1 3 0 24.46 7.81 3.6374 -1 3 1 24.69 1.62 3.6040 -2 2 1 25.68 25.84 3.4672 -1 1 2 26.34 77.50 3.3813 2 2 0 26.86 57.01 3.3171 -2 0 2 27.32 38.04 3.2620 0 4 0 27.58 77.88 3.2321 0 0 2 29.61 34.82 3.0152 1 3 1 30.21 12.10 2.9569 -2 2 2 30.68 16.41 2.9122 0 4 1 30.86 16.24 2.8961 0 2 2 31.24 4.05 2.8615 -3 1 1 32.28 8.23 2.7716 -1 3 2 33.79 13.24 2.6508 -3 1 2 34.22 1.02 2.6188 2 2 1 34.42 23.13 2.6040 -2 4 1 34.70 5.40 2.5836 3 1 0 34.96 2.86 2.5649 1 1 2 35.66 10.51 2.5162 2 4 0 36.22 1.45 2.4782 1 5 0 36.99 3.08 2.4285 -1 5 1 36.94 9.54 2.4317 -3 3 1 38.69 1.03 2.3258 -2 4 2 38.77 2.30 2.3209 -1 1 3 41.50 21.39 2.1747 0 6 0 41.38 4.50 2.1803 -3 1 3 41.45 2.17 2.1770 -4 0 1 41.75 3.69 2.1618 -4 0 2 41.90 4.22 2.1547 0 0 3 41.99 5.04 2.1502 2 4 1 42.78 2.11 2.1122 -1 5 2 43.22 2.36 2.0919 2 0 2 43.90 2.34 2.0612 0 6 1 43.81 7.92 2.0651 -4 2 1 44.10 8.05 2.0521 -4 2 2 45.50 9.04 1.9920 2 2 2 45.87 7.27 1.9769 4 0 0 46.01 2.22 1.9713 -3 3 3 46.55 1.31 1.9496 -3 5 1 46.71 5.94 1.9432 -4 0 3 47.69 4.88 1.9055 2 6 0 48.06 4.41 1.8919 4 2 0 48.87 3.53 1.8624 -4 2 3 48.92 4.88 1.8606 1 1 3 49.09 1.91 1.8545 3 5 0 50.12 2.10 1.8187 -2 6 2 50.36 1.88 1.8108 -4 4 1 50.55 10.65 1.8043 0 6 2 50.62 5.30 1.8020 -4 4 2 50.84 1.18 1.7945 -1 7 1 50.74 5.40 1.7979 0 4 3 50.73 19.59 1.7982 -2 0 4 51.89 6.50 1.7609 2 4 2 52.48 1.88 1.7424 -5 1 2 52.77 1.69 1.7336 -2 2 4 53.03 2.13 1.7255 1 3 3 53.80 2.01 1.7027 1 7 1 53.69 1.27 1.7060 -5 1 1 54.34 2.17 1.6871 -3 5 3 55.48 1.93 1.6549 -1 7 2 55.31 6.05 1.6597 -5 1 3 55.58 2.50 1.6522 3 5 1 56.06 2.79 1.6393 4 2 1 56.94 1.58 1.6160 -1 3 4 56.94 1.60 1.6160 0 0 4 56.91 1.45 1.6167 2 0 3 57.27 4.51 1.6074 -4 2 4 58.30 3.31 1.5815 0 8 1 58.57 1.45 1.5748 -2 4 4 58.83 5.64 1.5686 0 2 4 59.11 4.90 1.5617 -5 3 3 60.09 6.84 1.5386 -4 6 1 60.64 2.52 1.5260 -2 8 1 61.45 19.75 1.5078 2 8 0 61.81 2.80 1.4999 -5 1 4 62.44 2.88 1.4863 5 3 0 63.57 1.67 1.4624 -1 7 3 63.56 1.05 1.4628 4 6 0 63.38 5.71 1.4664 -6 0 2 63.88 2.77 1.4561 0 8 2 63.78 3.77 1.4581 -5 5 2 64.03 3.74 1.4531 1 1 4 64.23 1.69 1.4490 -4 6 3 64.28 2.24 1.4480 -1 5 4 64.25 5.93 1.4486 2 4 3 65.40 1.64 1.4260 1 9 0 65.24 1.24 1.4290 3 5 2 65.27 1.91 1.4285 -3 1 5 65.44 1.44 1.4252 -3 7 3 65.21 6.78 1.4297 4 0 2 65.75 2.54 1.4193 -6 0 1 66.38 2.15 1.4073 -6 2 3 66.76 3.99 1.4001 -4 0 5 67.54 2.79 1.3858 -2 6 4 67.53 2.31 1.3860 1 3 4 67.49 2.24 1.3868 -6 2 1 68.49 1.47 1.3690 -4 2 5 68.53 2.80 1.3683 -1 1 5 69.37 2.83 1.3536 -6 0 4 69.44 2.67 1.3525 5 5 0 69.90 3.28 1.3446 -1 9 2 71.40 2.03 1.3200 -5 1 5 71.54 4.15 1.3179 6 0 0 71.92 3.81 1.3118 -1 3 5 72.37 1.24 1.3048 0 10 0 72.14 1.38 1.3083 -2 4 5 72.07 2.16 1.3094 4 4 2 72.34 6.21 1.3053 -4 8 1 72.17 2.24 1.3080 2 0 4 72.55 8.66 1.3020 -4 8 2 72.65 2.40 1.3005 0 8 3 72.59 1.06 1.3014 -6 4 1 72.87 4.50 1.2971 0 6 4 73.58 10.53 1.2863 2 8 2 73.56 1.01 1.2866 -4 4 5 73.84 1.44 1.2825 2 2 4 74.13 4.41 1.2781 -3 9 2 74.07 1.14 1.2790 -5 7 2 74.74 2.85 1.2691 -5 3 5 75.46 2.53 1.2589 -3 5 5 75.51 1.33 1.2581 4 8 0 76.15 1.35 1.2492 -2 10 1 76.34 1.39 1.2465 -7 1 3 77.25 1.08 1.2341 5 5 1 78.75 2.48 1.2142 -2 10 2 79.09 2.03 1.2099 0 10 2 78.72 2.38 1.2147 4 0 3 78.97 2.14 1.2114 -6 2 5 79.61 1.70 1.2033 -7 3 3 79.66 1.41 1.2027 -7 3 2 80.34 1.09 1.1942 4 2 3 80.46 1.85 1.1928 6 0 1 81.67 1.56 1.1781 5 3 2 81.95 3.41 1.1748 4 8 1 82.97 3.68 1.1629 -4 8 4 84.29 6.34 1.1480 0 8 4 84.27 1.90 1.1482 2 8 3 84.18 1.07 1.1492 -6 6 4 84.61 2.31 1.1445 -2 10 3 85.19 1.28 1.1381 -3 7 5 85.17 3.34 1.1383 4 4 3 86.23 2.01 1.1271 6 6 0 86.39 1.64 1.1254 7 1 0 86.89 1.16 1.1202 6 4 1 87.50 2.77 1.1140 -1 9 4 89.59 2.98 1.0934 7 3 0 89.59 2.98 1.0934 7 3 0 XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.