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 = 280 K _database_code_amcsd 0008921 CELL PARAMETERS: 8.8316 13.0854 7.2002 90.000 116.147 90.000 SPACE GROUP: C2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 746.943 Density (g/cm3): 2.287 MAX. ABS. INTENSITY / VOLUME**2: 5.967332246 RIR: 0.849 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.06 6.34 6.7805 1 1 0 4 13.53 57.15 6.5427 0 2 0 2 13.70 20.61 6.4634 0 0 1 2 14.95 32.71 5.9247 -1 1 1 4 20.48 100.00 4.3363 -2 0 1 2 22.29 34.60 3.9876 1 1 1 4 23.28 61.71 3.8216 1 3 0 4 24.41 6.68 3.6464 -1 3 1 4 24.63 3.23 3.6145 -2 2 1 4 25.68 24.49 3.4690 -1 1 2 4 26.29 72.59 3.3902 2 2 0 4 26.83 51.28 3.3224 -2 0 2 2 27.26 29.36 3.2714 0 4 0 2 27.60 69.79 3.2317 0 0 2 2 29.57 30.35 3.0205 1 3 1 4 30.17 13.56 2.9624 -2 2 2 4 30.63 15.68 2.9188 0 4 1 4 30.86 15.30 2.8975 0 2 2 4 31.16 4.70 2.8704 -3 1 1 4 32.25 5.59 2.7754 -1 3 2 4 33.73 11.39 2.6576 -3 1 2 4 34.34 18.82 2.6116 -2 4 1 4 34.63 4.52 2.5903 3 1 0 4 34.97 1.91 2.5658 1 1 2 4 35.58 12.25 2.5231 2 4 0 4 36.14 1.66 2.4852 1 5 0 4 36.85 8.56 2.4391 -3 3 1 4 36.91 2.74 2.4350 -1 5 1 4 38.79 1.86 2.3213 -1 1 3 4 41.34 4.23 2.1839 -3 1 3 4 41.35 2.75 2.1837 -4 0 1 2 41.40 17.05 2.1809 0 6 0 2 41.66 3.78 2.1682 -4 0 2 2 41.93 4.56 2.1545 2 4 1 4 41.93 3.29 2.1545 0 0 3 2 42.72 2.15 2.1164 -1 5 2 4 43.22 2.13 2.0934 2 0 2 2 43.70 8.99 2.0714 -4 2 1 4 43.81 1.63 2.0664 0 6 1 4 44.00 6.39 2.0581 -4 2 2 4 45.49 8.24 1.9938 2 2 2 4 45.78 5.38 1.9820 4 0 0 2 45.95 2.45 1.9749 -3 3 3 4 46.63 5.83 1.9477 -4 0 3 2 47.17 1.57 1.9269 -2 4 3 4 47.59 2.33 1.9108 2 6 0 4 47.96 3.82 1.8968 4 2 0 4 48.78 4.24 1.8667 -4 2 3 4 48.95 3.58 1.8608 1 1 3 4 48.99 1.98 1.8595 3 5 0 4 50.23 1.55 1.8162 -4 4 1 4 50.48 7.42 1.8078 0 6 2 4 50.50 5.58 1.8073 -4 4 2 4 50.73 1.48 1.7995 -1 7 1 4 50.74 4.41 1.7993 0 4 3 4 50.75 15.52 1.7988 -2 0 4 2 51.85 6.51 1.7633 2 4 2 4 52.35 1.84 1.7478 -5 1 2 4 52.78 1.90 1.7345 -2 2 4 4 53.04 1.53 1.7264 1 3 3 4 53.56 1.12 1.7111 -5 1 1 4 53.70 2.00 1.7069 1 7 1 4 54.26 2.41 1.6907 -3 5 3 4 55.19 5.41 1.6643 -5 1 3 4 55.39 2.63 1.6588 -1 7 2 4 55.50 1.38 1.6558 3 5 1 4 55.99 2.84 1.6425 4 2 1 4 56.97 1.38 1.6165 -1 3 4 4 56.99 1.45 1.6159 0 0 4 2 57.21 3.58 1.6101 -4 2 4 4 58.18 2.69 1.5857 0 8 1 4 58.87 4.55 1.5687 0 2 4 4 58.98 4.29 1.5660 -5 3 3 4 59.95 4.91 1.5431 -4 6 1 4 60.49 1.74 1.5304 -2 8 1 4 61.31 15.28 1.5120 2 8 0 4 61.71 2.11 1.5031 -5 1 4 4 62.31 2.09 1.4902 5 3 0 4 63.21 3.88 1.4710 -6 0 2 2 63.50 1.55 1.4650 -1 7 3 4 63.62 2.37 1.4625 -5 5 2 4 63.77 2.12 1.4594 0 8 2 4 64.08 2.67 1.4532 1 1 4 4 64.24 4.64 1.4498 2 4 3 4 64.27 1.61 1.4493 -1 5 4 4 64.30 1.16 1.4488 0 4 4 4 65.16 5.17 1.4316 4 0 2 2 65.18 1.21 1.4313 3 5 2 4 65.28 1.29 1.4293 -3 1 5 4 65.32 1.79 1.4286 -3 7 3 4 65.58 2.41 1.4235 -6 0 1 2 66.21 1.97 1.4114 -6 2 3 4 66.74 3.12 1.4017 -4 0 5 2 67.32 2.06 1.3909 -6 2 1 4 67.50 1.75 1.3877 -2 6 4 4 67.57 1.71 1.3864 1 3 4 4 68.46 1.53 1.3706 -4 2 5 4 68.59 1.92 1.3682 -1 1 5 4 69.23 1.86 1.3571 -6 0 4 2 69.29 1.82 1.3561 5 5 0 4 69.76 1.40 1.3480 -1 9 2 4 71.33 1.36 1.3222 -5 1 5 4 71.39 2.98 1.3213 6 0 0 2 71.97 3.10 1.3120 -1 3 5 4 72.00 1.26 1.3115 4 4 2 4 72.15 5.18 1.3091 -4 8 1 4 72.16 1.40 1.3091 -2 4 5 4 72.19 1.04 1.3085 0 10 0 2 72.21 1.77 1.3083 2 0 4 2 72.37 5.97 1.3058 -4 8 2 4 72.56 1.51 1.3028 0 8 3 4 72.85 2.88 1.2983 0 6 4 4 73.47 7.55 1.2889 2 8 2 4 73.87 1.30 1.2829 2 2 4 4 73.88 1.19 1.2828 -5 7 2 4 73.96 4.23 1.2816 -3 9 2 4 74.48 1.04 1.2739 3 9 0 4 74.66 1.76 1.2713 -5 3 5 4 75.43 1.84 1.2602 -3 5 5 4 75.96 1.07 1.2527 -2 10 1 4 76.14 1.11 1.2503 -7 1 3 4 78.57 2.11 1.2175 -2 10 2 4 78.70 2.19 1.2159 4 0 3 2 78.85 1.83 1.2139 -6 2 5 4 78.93 1.91 1.2129 0 10 2 4 80.32 1.05 1.1954 4 2 3 4 80.33 1.60 1.1953 6 0 1 2 81.58 1.15 1.1801 5 3 2 4 81.78 2.81 1.1776 4 8 1 4 82.82 2.27 1.1655 -4 8 4 4 84.18 1.64 1.1501 2 8 3 4 84.23 4.31 1.1495 0 8 4 4 84.45 1.89 1.1472 -2 10 3 4 85.12 1.24 1.1398 -3 7 5 4 85.13 2.26 1.1397 4 4 3 4 86.03 1.12 1.1301 6 6 0 4 86.20 1.03 1.1283 7 1 0 4 87.40 1.23 1.1158 -1 9 4 4 89.38 1.74 1.0962 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.