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 = 210 K _database_code_amcsd 0008920 CELL PARAMETERS: 8.8161 13.0961 7.2016 90.000 116.121 90.000 SPACE GROUP: C2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 746.545 Density (g/cm3): 2.289 MAX. ABS. INTENSITY / VOLUME**2: 5.961204109 RIR: 0.848 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.07 6.20 6.7744 1 1 0 4 13.52 53.71 6.5480 0 2 0 2 13.69 20.89 6.4660 0 0 1 2 14.96 33.67 5.9230 -1 1 1 4 20.51 100.00 4.3295 -2 0 1 2 22.30 36.03 3.9869 1 1 1 4 23.27 63.57 3.8226 1 3 0 4 24.40 7.27 3.6478 -1 3 1 4 24.65 2.47 3.6115 -2 2 1 4 25.67 26.29 3.4699 -1 1 2 4 26.31 74.67 3.3872 2 2 0 4 26.85 52.69 3.3205 -2 0 2 2 27.24 30.51 3.2740 0 4 0 2 27.59 72.57 3.2330 0 0 2 2 29.57 30.93 3.0212 1 3 1 4 30.18 12.64 2.9615 -2 2 2 4 30.61 15.91 2.9209 0 4 1 4 30.84 15.58 2.8989 0 2 2 4 31.21 4.42 2.8656 -3 1 1 4 32.24 6.17 2.7767 -1 3 2 4 33.77 12.22 2.6545 -3 1 2 4 34.34 20.19 2.6114 -2 4 1 4 34.68 5.03 2.5866 3 1 0 4 34.97 2.26 2.5660 1 1 2 4 35.59 12.89 2.5227 2 4 0 4 36.12 1.67 2.4866 1 5 0 4 36.89 8.86 2.4367 -3 3 1 4 36.89 3.21 2.4366 -1 5 1 4 38.78 1.98 2.3222 -1 1 3 4 41.37 4.85 2.1827 -3 1 3 4 41.37 16.56 2.1827 0 6 0 2 41.42 2.51 2.1798 -4 0 1 2 41.72 4.10 2.1647 -4 0 2 2 41.92 4.20 2.1553 0 0 3 2 41.93 4.57 2.1544 2 4 1 4 42.70 2.51 2.1177 -1 5 2 4 43.23 2.62 2.0928 2 0 2 2 43.77 9.03 2.0682 -4 2 1 4 43.77 1.99 2.0680 0 6 1 4 44.06 7.15 2.0553 -4 2 2 4 45.50 8.73 1.9934 2 2 2 4 45.85 5.59 1.9789 4 0 0 2 45.97 2.54 1.9743 -3 3 3 4 46.69 5.78 1.9456 -4 0 3 2 47.15 1.21 1.9275 -2 4 3 4 47.58 3.04 1.9113 2 6 0 4 48.03 3.94 1.8943 4 2 0 4 48.83 3.97 1.8650 -4 2 3 4 48.94 3.98 1.8612 1 1 3 4 49.00 1.66 1.8589 3 5 0 4 50.01 1.02 1.8239 -2 6 2 4 50.29 2.01 1.8144 -4 4 1 4 50.45 7.60 1.8090 0 6 2 4 50.55 5.94 1.8057 -4 4 2 4 50.69 1.35 1.8008 -1 7 1 4 50.71 5.25 1.8003 0 4 3 4 50.74 17.43 1.7993 -2 0 4 2 51.85 7.43 1.7633 2 4 2 4 52.44 1.94 1.7449 -5 1 2 4 52.76 1.72 1.7350 -2 2 4 4 53.03 1.65 1.7269 1 3 3 4 53.66 1.26 1.7082 -5 1 1 4 53.66 1.96 1.7080 1 7 1 4 54.26 2.56 1.6907 -3 5 3 4 55.27 6.01 1.6620 -5 1 3 4 55.35 2.55 1.6599 -1 7 2 4 55.51 2.00 1.6554 3 5 1 4 56.05 3.01 1.6409 4 2 1 4 56.94 1.31 1.6173 -1 3 4 4 56.94 1.07 1.6173 2 0 3 2 56.97 1.36 1.6165 0 0 4 2 57.24 4.03 1.6093 -4 2 4 4 58.13 3.00 1.5869 0 8 1 4 58.54 1.08 1.5768 -2 4 4 4 58.84 5.11 1.5694 0 2 4 4 59.05 4.57 1.5643 -5 3 3 4 59.98 5.93 1.5424 -4 6 1 4 60.46 2.23 1.5312 -2 8 1 4 61.28 16.80 1.5127 2 8 0 4 61.62 1.03 1.5052 4 4 1 4 61.78 2.62 1.5017 -5 1 4 4 62.40 2.01 1.4883 5 3 0 4 63.34 4.57 1.4684 -6 0 2 2 63.45 1.61 1.4660 -1 7 3 4 63.69 3.11 1.4612 -5 5 2 4 63.72 2.07 1.4605 0 8 2 4 64.06 3.34 1.4536 1 1 4 4 64.12 1.17 1.4524 -4 6 3 4 64.23 2.03 1.4500 -1 5 4 4 64.24 5.59 1.4500 2 4 3 4 64.26 1.31 1.4495 0 4 4 4 65.19 1.27 1.4311 3 5 2 4 65.22 5.91 1.4305 4 0 2 2 65.27 1.80 1.4295 -3 1 5 4 65.30 1.74 1.4289 -3 7 3 4 65.71 2.61 1.4210 -6 0 1 2 66.32 2.10 1.4093 -6 2 3 4 66.75 3.62 1.4013 -4 0 5 2 67.44 2.14 1.3887 -6 2 1 4 67.46 1.71 1.3884 -2 6 4 4 67.54 1.95 1.3868 1 3 4 4 68.47 1.40 1.3703 -4 2 5 4 68.56 2.48 1.3688 -1 1 5 4 69.33 2.26 1.3554 -6 0 4 2 69.36 2.47 1.3549 5 5 0 4 69.71 2.11 1.3490 -1 9 2 4 71.38 1.58 1.3214 -5 1 5 4 71.51 3.32 1.3193 6 0 0 2 71.93 3.31 1.3126 -1 3 5 4 72.04 1.77 1.3109 4 4 2 4 72.12 1.49 1.3096 -2 4 5 4 72.12 1.39 1.3096 0 10 0 2 72.16 5.96 1.3090 -4 8 1 4 72.20 1.87 1.3084 2 0 4 2 72.37 6.97 1.3057 -4 8 2 4 72.51 1.96 1.3036 0 8 3 4 72.80 3.42 1.2990 0 6 4 4 73.44 8.83 1.2894 2 8 2 4 73.86 1.33 1.2830 2 2 4 4 73.92 1.21 1.2821 -5 7 2 4 73.93 5.28 1.2821 -3 9 2 4 74.46 1.36 1.2742 3 9 0 4 74.70 2.06 1.2707 -5 3 5 4 75.40 2.29 1.2606 -3 5 5 4 75.90 1.50 1.2535 -2 10 1 4 76.29 1.41 1.2482 -7 1 3 4 77.18 1.25 1.2359 5 5 1 4 78.51 2.46 1.2183 -2 10 2 4 78.74 2.54 1.2153 4 0 3 2 78.86 2.20 1.2138 0 10 2 4 78.93 2.02 1.2129 -6 2 5 4 79.53 1.44 1.2052 -7 3 3 4 79.56 1.04 1.2049 -7 1 4 4 80.36 1.13 1.1949 4 2 3 4 80.45 1.93 1.1938 6 0 1 2 81.65 1.17 1.1792 5 3 2 4 81.80 3.36 1.1775 4 8 1 4 82.81 2.98 1.1657 -4 8 4 4 84.15 2.17 1.1505 2 8 3 4 84.17 5.21 1.1502 0 8 4 4 84.38 2.30 1.1479 -2 10 3 4 85.09 1.34 1.1402 -3 7 5 4 85.16 2.80 1.1393 4 4 3 4 86.13 1.24 1.1291 6 6 0 4 86.36 1.40 1.1266 7 1 0 4 87.33 1.78 1.1166 -1 9 4 4 89.54 2.26 1.0947 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.