Ussingite Williams E R, Weller M T Physics and Chemistry of Minerals 39 (2012) 471-478 A variable-temperature neutron diffraction study of ussingite; a strong asymmetric hydrogen bond in an aluminosilicate framework Note: T = 4 K Locality: Nakalaq, Ilimaussaq complex, Greenland _database_code_amcsd 0019374 CELL PARAMETERS: 7.2474 7.6813 8.6432 90.835 99.771 122.581 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 396.295 Density (g/cm3): 2.532 MAX. ABS. INTENSITY / VOLUME**2: 3.784591144 RIR: 0.487 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.47 1.45 8.4482 0 0 1 2 13.62 54.04 6.4991 -1 1 0 2 13.79 31.32 6.4196 0 1 0 2 16.28 2.88 5.4462 -1 0 1 2 18.04 28.92 4.9184 1 -1 1 2 18.39 25.88 4.8234 0 1 1 2 21.03 51.12 4.2241 0 0 2 2 23.09 19.98 3.8521 -1 0 2 2 23.16 46.57 3.8399 -1 2 0 2 23.69 50.55 3.7556 0 -1 2 2 23.95 39.52 3.7161 -1 1 2 2 25.06 58.25 3.5532 -2 1 0 2 25.31 12.73 3.5185 1 -2 1 2 25.34 24.92 3.5142 1 1 0 2 25.38 6.88 3.5091 -2 1 1 2 25.50 16.16 3.4938 -1 -1 1 2 25.65 39.82 3.4734 -1 2 1 2 26.29 19.80 3.3899 1 -1 2 2 26.70 23.81 3.3385 0 1 2 2 27.45 10.17 3.2496 -2 2 0 2 27.79 4.72 3.2098 0 2 0 2 28.34 2.82 3.1494 1 0 2 2 28.42 23.55 3.1402 -2 2 1 2 28.46 26.36 3.1363 0 -2 1 2 28.96 28.83 3.0828 2 -1 1 2 29.36 16.35 3.0422 1 1 1 2 29.56 1.15 3.0215 -2 0 1 2 29.75 27.30 3.0029 -1 -1 2 2 29.80 17.53 2.9984 -2 1 2 2 29.94 100.00 2.9849 2 0 0 2 30.45 8.95 2.9359 2 -2 1 2 31.04 7.70 2.8810 0 2 1 2 31.21 1.49 2.8658 1 -2 2 2 31.76 3.26 2.8175 -1 2 2 2 32.82 60.37 2.7289 0 -2 2 2 32.89 2.30 2.7231 -2 0 2 2 33.05 40.53 2.7103 -2 2 2 2 33.07 2.59 2.7092 0 -1 3 2 33.38 8.32 2.6839 -1 1 3 2 35.84 11.12 2.5057 2 -1 2 2 36.01 26.85 2.4943 1 -1 3 2 36.29 16.68 2.4758 1 1 2 2 36.44 13.28 2.4657 0 1 3 2 36.93 3.72 2.4343 1 -3 1 2 36.99 13.66 2.4305 -2 1 3 2 37.08 13.08 2.4244 -2 3 1 2 37.28 2.45 2.4117 0 2 2 2 37.75 4.64 2.3833 -3 2 1 2 38.04 4.68 2.3658 -1 -2 1 2 38.10 2.20 2.3621 1 0 3 2 38.45 4.94 2.3413 1 2 0 2 38.88 2.13 2.3162 -2 -1 1 2 39.35 13.41 2.2896 1 -2 3 2 40.03 10.62 2.2526 -1 2 3 2 40.22 6.74 2.2423 -2 2 3 2 40.51 9.02 2.2265 2 0 2 2 40.86 8.32 2.2085 1 -3 2 2 41.10 1.13 2.1960 3 -2 1 2 41.33 9.10 2.1844 -2 3 2 2 42.23 2.91 2.1399 0 3 0 2 42.28 2.22 2.1378 -1 0 4 2 42.82 1.81 2.1120 0 0 4 2 42.92 1.57 2.1071 3 -1 1 2 43.32 6.10 2.0886 2 1 1 2 43.36 1.82 2.0869 0 -1 4 2 44.19 16.44 2.0496 3 -3 1 2 44.52 2.76 2.0350 -3 0 1 2 44.64 3.48 2.0298 2 -2 3 2 45.01 24.43 2.0141 0 3 1 2 45.48 2.76 1.9944 0 2 3 2 45.62 10.75 1.9885 -1 -1 4 2 45.85 3.02 1.9789 -2 1 4 2 45.88 2.65 1.9778 -2 -1 3 2 45.90 4.27 1.9770 -3 1 3 2 45.99 1.50 1.9733 -3 2 3 2 46.53 3.58 1.9520 1 -1 4 2 46.97 6.68 1.9343 0 1 4 2 47.19 13.79 1.9261 -2 0 4 2 47.35 2.18 1.9199 -2 4 0 2 48.44 6.79 1.8792 2 -4 1 2 48.67 2.47 1.8710 1 0 4 2 48.86 2.24 1.8641 1 -2 4 2 49.29 4.57 1.8486 2 -3 3 2 49.30 1.28 1.8484 2 1 2 2 49.62 4.15 1.8374 -1 2 4 2 50.10 2.33 1.8206 -1 4 0 2 50.14 1.87 1.8193 0 -3 3 2 50.30 1.24 1.8141 -1 3 3 2 50.42 2.45 1.8100 1 -4 1 2 50.56 4.42 1.8054 -4 2 1 2 51.47 1.53 1.7754 3 -4 1 2 52.02 6.10 1.7581 -4 3 0 2 52.13 12.99 1.7546 -4 2 2 2 52.24 1.95 1.7509 -1 4 1 2 52.38 17.01 1.7469 -2 -2 2 2 52.71 1.32 1.7367 -2 4 2 2 52.78 2.11 1.7345 1 3 0 2 53.16 3.97 1.7231 1 -4 2 2 53.36 1.98 1.7169 -3 2 4 2 53.47 4.32 1.7137 -3 4 2 2 54.02 4.15 1.6976 -3 -1 1 2 54.35 8.84 1.6879 0 -1 5 2 54.75 12.11 1.6767 -1 1 5 2 54.87 1.33 1.6731 -4 1 2 2 54.99 14.02 1.6699 -4 1 0 2 55.00 10.42 1.6696 3 0 2 2 55.26 1.00 1.6625 1 2 3 2 55.33 1.25 1.6603 3 1 0 2 56.10 1.60 1.6395 3 -3 3 2 56.59 5.09 1.6264 3 -1 3 2 56.60 13.12 1.6261 -4 4 1 2 57.03 8.87 1.6149 0 -4 1 2 57.09 1.80 1.6134 2 1 3 2 57.24 1.53 1.6094 0 -3 4 2 57.30 1.24 1.6078 0 3 3 2 57.64 3.39 1.5991 2 -4 3 2 57.65 1.89 1.5991 -1 -3 3 2 57.70 1.83 1.5978 -4 3 3 2 58.07 2.09 1.5883 1 -4 3 2 58.38 1.63 1.5806 0 -2 5 2 58.47 5.77 1.5785 4 -1 1 2 58.62 1.25 1.5747 2 0 4 2 58.66 7.03 1.5739 -2 4 3 2 58.71 3.14 1.5726 -3 4 3 2 58.88 2.37 1.5684 3 1 1 2 58.95 1.41 1.5667 4 -4 1 2 59.04 1.50 1.5647 -2 2 5 2 59.38 2.59 1.5564 1 -2 5 2 60.21 3.60 1.5369 -1 2 5 2 60.69 1.87 1.5260 -3 5 0 2 60.92 1.65 1.5208 -2 5 0 2 61.81 1.31 1.5010 -1 -2 5 2 61.89 1.88 1.4992 -4 2 4 2 61.89 2.17 1.4991 3 -5 1 2 62.20 1.22 1.4924 4 0 0 2 62.26 1.70 1.4912 -3 2 5 2 62.53 2.28 1.4854 -2 5 1 2 62.89 1.40 1.4778 0 -4 3 2 62.99 5.32 1.4757 -1 4 3 2 63.36 3.64 1.4680 4 -4 2 2 63.39 4.93 1.4672 3 -2 4 2 63.56 1.90 1.4638 -1 -3 4 2 63.65 2.54 1.4619 -4 1 4 2 63.97 2.23 1.4554 4 -1 2 2 64.39 3.08 1.4469 1 2 4 2 64.65 1.64 1.4418 3 -3 4 2 64.71 4.57 1.4405 0 4 2 2 64.72 4.95 1.4404 1 -3 5 2 64.74 8.75 1.4399 -1 0 6 2 64.76 1.71 1.4395 -4 5 0 2 64.87 4.97 1.4374 1 -4 4 2 65.00 2.75 1.4349 -2 -3 1 2 65.07 1.29 1.4334 -4 5 1 2 65.77 3.99 1.4199 -2 3 5 2 65.78 2.56 1.4197 -3 4 4 2 65.80 1.34 1.4192 3 -1 4 2 65.92 1.73 1.4169 0 -3 5 2 66.22 1.20 1.4113 -2 5 2 2 66.34 1.68 1.4091 2 1 4 2 66.39 2.17 1.4080 0 0 6 2 66.55 1.16 1.4051 4 -5 1 2 66.63 1.14 1.4036 4 -3 3 2 66.65 1.27 1.4033 -5 4 1 2 66.96 1.03 1.3975 -5 2 0 2 67.28 1.69 1.3916 -2 0 6 2 67.38 3.33 1.3898 -1 -4 1 2 67.46 1.03 1.3883 -4 5 2 2 68.05 2.05 1.3777 -5 4 2 2 68.42 8.78 1.3713 5 -3 1 2 68.47 1.10 1.3703 -1 -4 2 2 68.97 6.73 1.3616 -4 0 4 2 69.27 2.57 1.3564 -2 -2 5 2 69.32 1.01 1.3556 -3 -2 3 2 69.46 1.79 1.3531 3 -4 4 2 69.52 2.47 1.3521 -4 2 5 2 69.55 5.71 1.3516 2 3 1 2 70.43 5.21 1.3370 -5 1 1 2 70.48 5.72 1.3361 3 -5 3 2 70.73 6.68 1.3319 -4 -1 1 2 71.01 2.89 1.3273 -4 -1 2 2 71.02 2.34 1.3272 -1 4 4 2 71.16 1.50 1.3249 -2 -1 6 2 71.19 1.42 1.3245 3 2 1 2 71.21 4.50 1.3242 -1 -3 5 2 71.33 5.63 1.3222 1 -5 3 2 71.41 2.83 1.3210 -3 1 6 2 71.58 1.94 1.3182 -1 -4 3 2 71.71 3.26 1.3162 -4 3 5 2 71.83 6.12 1.3143 -2 5 3 2 71.83 2.64 1.3142 -4 5 3 2 72.09 7.57 1.3101 1 0 6 2 72.45 2.81 1.3045 -5 5 1 2 72.47 1.79 1.3043 4 1 0 2 73.13 1.97 1.2941 0 -5 1 2 73.78 1.86 1.2843 3 -2 5 2 73.79 1.64 1.2840 -3 0 6 2 73.81 1.41 1.2838 -5 2 4 2 73.88 1.63 1.2827 -3 -2 4 2 74.62 1.70 1.2719 3 -3 5 2 74.77 1.43 1.2698 2 3 2 2 74.86 2.10 1.2684 1 2 5 2 75.71 1.04 1.2563 5 -1 1 2 75.95 2.93 1.2529 4 -2 4 2 76.10 1.15 1.2507 0 3 5 2 76.61 1.73 1.2437 1 3 4 2 77.20 3.09 1.2357 1 -5 4 2 77.25 2.14 1.2350 2 -1 6 2 77.41 2.14 1.2329 0 2 6 2 77.65 1.18 1.2296 4 -4 4 2 77.70 1.91 1.2289 0 -5 3 2 77.78 3.93 1.2279 -5 5 3 2 78.05 1.89 1.2243 -4 5 4 2 78.53 1.24 1.2181 -5 0 2 2 78.67 3.18 1.2162 -1 -1 7 2 78.86 1.01 1.2138 2 -3 6 2 79.06 2.82 1.2112 -2 1 7 2 79.48 2.05 1.2059 0 4 4 2 80.28 1.62 1.1959 5 -3 3 2 80.47 1.69 1.1935 -5 3 5 2 80.75 1.44 1.1901 3 1 4 2 80.89 1.96 1.1883 -2 -4 1 2 81.14 2.94 1.1853 5 -4 3 2 81.50 1.25 1.1810 2 0 6 2 82.98 2.73 1.1636 1 4 3 2 83.47 1.07 1.1581 -4 -2 2 2 83.96 1.16 1.1526 -4 0 6 2 84.35 1.02 1.1482 -5 0 4 2 85.33 1.35 1.1376 5 -5 3 2 85.33 1.47 1.1375 -4 -2 3 2 86.93 2.01 1.1207 -3 -3 4 2 87.41 1.46 1.1157 0 5 3 2 89.97 2.41 1.0905 -3 -1 7 2 89.99 4.50 1.0904 5 0 2 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.