Buddingtonite 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 _database_code_amcsd 0008919 CELL PARAMETERS: 8.7918 13.1108 7.2047 90.000 116.097 90.000 SPACE GROUP: C2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 745.809 Density (g/cm3): 2.291 MAX. ABS. INTENSITY / VOLUME**2: 5.650219431 RIR: 0.803 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.09 9.60 6.7637 1 1 0 4 13.51 51.22 6.5554 0 2 0 2 13.69 19.48 6.4702 0 0 1 2 14.96 33.46 5.9210 -1 1 1 4 20.56 100.00 4.3190 -2 0 1 2 22.31 39.20 3.9851 1 1 1 4 23.26 72.49 3.8236 1 3 0 4 24.39 7.81 3.6499 -1 3 1 4 24.68 1.62 3.6066 -2 2 1 4 25.66 25.84 3.4718 -1 1 2 4 26.35 77.50 3.3819 2 2 0 4 26.87 57.01 3.3181 -2 0 2 2 27.21 38.04 3.2777 0 4 0 2 27.57 77.88 3.2351 0 0 2 2 29.56 34.82 3.0219 1 3 1 4 30.19 12.10 2.9605 -2 2 2 4 30.57 16.41 2.9239 0 4 1 4 30.82 16.24 2.9011 0 2 2 4 31.30 4.05 2.8582 -3 1 1 4 32.21 8.23 2.7788 -1 3 2 4 33.83 13.24 2.6499 -3 1 2 4 34.23 1.02 2.6192 2 2 1 4 34.35 23.13 2.6110 -2 4 1 4 34.77 5.40 2.5804 3 1 0 4 34.96 2.86 2.5662 1 1 2 4 35.60 10.51 2.5218 2 4 0 4 36.09 1.45 2.4885 1 5 0 4 36.86 3.08 2.4387 -1 5 1 4 36.95 9.54 2.4329 -3 3 1 4 38.61 1.03 2.3319 -2 4 2 4 38.75 2.30 2.3238 -1 1 3 4 41.32 21.39 2.1851 0 6 0 2 41.39 4.50 2.1813 -3 1 3 4 41.55 2.17 2.1736 -4 0 1 2 41.83 3.69 2.1595 -4 0 2 2 41.89 4.22 2.1567 0 0 3 2 41.95 5.04 2.1538 2 4 1 4 42.66 2.11 2.1196 -1 5 2 4 43.26 2.36 2.0915 2 0 2 2 43.72 2.34 2.0703 0 6 1 4 43.88 7.92 2.0631 -4 2 1 4 44.16 8.05 2.0511 -4 2 2 4 45.52 9.04 1.9926 2 2 2 4 45.98 7.27 1.9739 4 0 0 2 45.98 2.22 1.9737 -3 3 3 4 46.49 1.31 1.9535 -3 5 1 4 46.76 5.94 1.9426 -4 0 3 2 47.56 4.88 1.9118 2 6 0 4 48.14 4.41 1.8901 4 2 0 4 48.90 3.53 1.8626 -4 2 3 4 48.92 4.88 1.8617 1 1 3 4 49.04 1.91 1.8576 3 5 0 4 49.98 2.10 1.8250 -2 6 2 4 50.37 1.88 1.8115 -4 4 1 4 50.39 10.65 1.8108 0 6 2 4 50.62 5.30 1.8033 -4 4 2 4 50.64 1.18 1.8026 -1 7 1 4 50.67 5.40 1.8017 0 4 3 4 50.71 19.59 1.8002 -2 0 4 2 51.86 6.50 1.7631 2 4 2 4 52.59 1.88 1.7403 -5 1 2 4 52.73 1.69 1.7359 -2 2 4 4 53.00 2.13 1.7276 1 3 3 4 53.61 2.01 1.7094 1 7 1 4 53.82 1.27 1.7034 -5 1 1 4 54.25 2.17 1.6908 -3 5 3 4 55.29 1.93 1.6616 -1 7 2 4 55.39 6.05 1.6586 -5 1 3 4 55.55 2.50 1.6544 3 5 1 4 56.15 2.79 1.6380 4 2 1 4 56.89 1.58 1.6186 -1 3 4 4 56.93 1.60 1.6176 0 0 4 2 56.95 1.45 1.6169 2 0 3 2 57.28 4.51 1.6084 -4 2 4 4 58.06 3.31 1.5887 0 8 1 4 58.50 1.45 1.5779 -2 4 4 4 58.80 5.64 1.5705 0 2 4 4 59.16 4.90 1.5616 -5 3 3 4 60.03 6.84 1.5410 -4 6 1 4 60.41 2.52 1.5323 -2 8 1 4 61.24 19.75 1.5136 2 8 0 4 61.87 2.80 1.4997 -5 1 4 4 62.54 2.88 1.4851 5 3 0 4 63.39 1.67 1.4674 -1 7 3 4 63.51 1.05 1.4648 4 6 0 4 63.53 5.71 1.4643 -6 0 2 2 63.65 2.77 1.4620 0 8 2 4 63.80 3.77 1.4590 -5 5 2 4 64.03 3.74 1.4541 1 1 4 4 64.15 1.69 1.4518 -4 6 3 4 64.17 2.24 1.4513 -1 5 4 4 64.23 5.93 1.4501 2 4 3 4 65.11 1.64 1.4326 1 9 0 4 65.22 1.24 1.4305 3 5 2 4 65.25 1.91 1.4300 -3 1 5 4 65.28 1.44 1.4294 -3 7 3 4 65.32 6.78 1.4286 4 0 2 2 65.92 2.54 1.4170 -6 0 1 2 66.49 2.15 1.4062 -6 2 3 4 66.76 3.99 1.4011 -4 0 5 2 67.40 2.79 1.3894 -2 6 4 4 67.51 2.31 1.3874 1 3 4 4 67.64 2.24 1.3850 -6 2 1 4 68.48 1.47 1.3702 -4 2 5 4 68.50 2.80 1.3698 -1 1 5 4 69.48 2.83 1.3529 -6 0 4 2 69.49 2.67 1.3527 5 5 0 4 69.62 3.28 1.3504 -1 9 2 4 71.44 2.03 1.3205 -5 1 5 4 71.72 4.15 1.3159 6 0 0 2 71.87 3.81 1.3137 -1 3 5 4 72.03 1.24 1.3111 0 10 0 2 72.06 1.38 1.3106 -2 4 5 4 72.12 2.16 1.3096 4 4 2 4 72.19 6.21 1.3086 -4 8 1 4 72.20 2.24 1.3084 2 0 4 2 72.39 8.66 1.3055 -4 8 2 4 72.43 2.40 1.3049 0 8 3 4 72.70 1.06 1.3006 -6 4 1 4 72.74 4.50 1.3001 0 6 4 4 73.40 10.53 1.2900 2 8 2 4 73.51 1.01 1.2883 -4 4 5 4 73.86 1.44 1.2831 2 2 4 4 73.89 4.41 1.2827 -3 9 2 4 74.00 1.14 1.2810 -5 7 2 4 74.75 2.85 1.2700 -5 3 5 4 75.36 2.53 1.2612 -3 5 5 4 75.38 1.33 1.2609 4 8 0 4 75.83 1.35 1.2546 -2 10 1 4 76.52 1.39 1.2450 -7 1 3 4 77.31 1.08 1.2342 5 5 1 4 78.43 2.48 1.2193 -2 10 2 4 78.76 2.03 1.2151 0 10 2 4 78.83 2.38 1.2142 4 0 3 2 79.04 2.14 1.2115 -6 2 5 4 79.76 1.70 1.2024 -7 3 3 4 79.84 1.41 1.2014 -7 3 2 4 80.44 1.09 1.1939 4 2 3 4 80.66 1.85 1.1912 6 0 1 2 81.79 1.56 1.1776 5 3 2 4 81.83 3.41 1.1771 4 8 1 4 82.78 3.68 1.1659 -4 8 4 4 84.08 6.34 1.1512 0 8 4 4 84.10 1.90 1.1510 2 8 3 4 84.17 1.07 1.1503 -6 6 4 4 84.29 2.31 1.1489 -2 10 3 4 85.02 1.28 1.1409 -3 7 5 4 85.23 3.34 1.1386 4 4 3 4 86.29 2.01 1.1273 6 6 0 4 86.63 1.64 1.1238 7 1 0 4 87.04 1.16 1.1196 6 4 1 4 87.22 2.77 1.1176 -1 9 4 4 89.80 2.98 1.0921 7 3 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.