Chondrodite Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G American Mineralogist 87 (2002) 931-939 High-pressure single-crystal X-ray and powder neutron study of F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding Sample: P = 5.27 GPa, Neutron _database_code_amcsd 0002866 CELL PARAMETERS: 4.6827 10.1055 7.7449 108.980 90.000 90.000 SPACE GROUP: P2_1/b X-RAY WAVELENGTH: 1.541838 Cell Volume: 346.571 Density (g/cm3): 3.276 MAX. ABS. INTENSITY / VOLUME**2: 3.567848326 RIR: 0.355 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.08 9.42 7.3238 0 0 1 2 18.58 67.18 4.7751 0 -2 1 2 22.54 23.01 3.9452 1 0 1 4 22.83 3.64 3.8953 1 -1 1 4 24.31 24.04 3.6619 0 0 2 2 25.35 39.56 3.5129 0 2 1 2 25.38 27.31 3.5093 0 -2 2 2 25.90 47.18 3.4403 1 1 1 4 26.65 33.86 3.3444 1 2 0 4 26.66 6.12 3.3433 1 -2 1 4 29.98 73.65 2.9809 1 -1 2 4 31.00 8.82 2.8846 1 0 2 4 31.87 16.07 2.8082 1 -2 2 4 32.90 57.35 2.7225 1 -3 1 4 34.04 73.16 2.6338 1 3 0 4 34.71 100.00 2.5844 1 1 2 4 35.40 1.21 2.5355 0 2 2 2 36.26 92.16 2.4771 1 -3 2 4 36.82 11.00 2.4413 0 0 3 2 37.65 14.66 2.3890 0 4 0 2 37.68 10.53 2.3875 0 -4 2 2 39.34 47.45 2.2900 1 3 1 4 39.63 24.64 2.2741 2 1 0 4 39.96 49.73 2.2561 1 -1 3 4 40.46 60.57 2.2296 1 2 2 4 40.49 65.01 2.2281 1 -2 3 4 40.57 69.41 2.2234 1 -4 1 4 40.62 4.13 2.2210 2 -1 1 4 42.53 16.34 2.1257 2 1 1 4 43.03 1.09 2.1022 2 -2 1 4 43.23 2.33 2.0929 1 -3 3 4 43.54 8.82 2.0785 0 -4 3 2 45.28 8.74 2.0026 2 -1 2 4 45.56 7.02 1.9911 1 1 3 4 47.02 2.69 1.9326 0 -2 4 2 47.39 6.52 1.9183 2 -3 1 4 49.20 7.98 1.8520 1 -5 1 4 49.80 1.29 1.8310 0 0 4 2 50.04 6.16 1.8227 1 -5 2 4 51.10 5.84 1.7875 1 2 3 4 51.13 1.84 1.7864 1 -2 4 4 51.51 7.77 1.7742 1 -1 4 4 51.66 6.64 1.7695 1 5 0 4 52.13 2.19 1.7547 0 -4 4 2 52.65 7.05 1.7383 1 -3 4 4 53.25 74.55 1.7201 2 2 2 4 53.28 73.22 1.7194 2 -2 3 4 53.35 60.94 1.7173 2 -4 1 4 54.29 7.76 1.6898 2 0 3 4 54.88 2.05 1.6730 0 -6 2 2 54.91 17.27 1.6722 2 4 0 4 54.92 5.01 1.6717 2 -4 2 4 55.53 3.94 1.6549 2 -3 3 4 55.91 1.21 1.6446 1 4 2 4 57.11 6.80 1.6127 1 5 1 4 57.48 3.47 1.6033 2 1 3 4 57.72 1.77 1.5971 1 1 4 4 57.90 11.84 1.5927 0 6 0 2 57.94 8.29 1.5917 0 -6 3 2 58.01 18.76 1.5899 1 3 3 4 58.58 1.81 1.5758 1 -6 1 4 59.26 2.93 1.5592 2 3 2 4 59.47 11.40 1.5544 2 -4 3 4 59.67 4.45 1.5496 0 2 4 2 59.71 3.42 1.5487 0 -2 5 2 60.06 2.64 1.5405 3 1 0 4 60.66 2.47 1.5266 3 0 1 4 60.79 4.34 1.5237 3 -1 1 4 60.87 3.93 1.5218 1 -5 4 4 61.34 2.29 1.5113 2 -5 2 4 62.23 5.26 1.4918 3 1 1 4 62.29 1.15 1.4904 2 -2 4 4 62.61 3.14 1.4837 3 2 0 4 62.61 1.04 1.4836 3 -2 1 4 62.63 4.10 1.4833 2 -1 4 4 62.63 9.41 1.4833 0 4 3 2 62.70 4.70 1.4818 0 -4 5 2 62.76 5.59 1.4806 2 5 0 4 63.51 57.24 1.4648 0 0 5 2 63.71 45.41 1.4608 0 6 1 2 63.77 48.95 1.4595 0 -6 4 2 63.87 19.56 1.4574 1 -3 5 4 64.37 3.24 1.4473 3 -1 2 4 64.62 1.92 1.4423 2 0 4 4 64.91 1.96 1.4366 2 -5 3 4 65.44 2.26 1.4262 3 -2 2 4 66.05 5.31 1.4146 3 -3 1 4 66.14 1.16 1.4128 1 -4 5 4 66.55 2.24 1.4050 2 4 2 4 66.73 3.94 1.4017 3 3 0 4 67.15 7.56 1.3941 3 1 2 4 67.64 1.51 1.3850 2 5 1 4 68.04 24.82 1.3780 1 -7 2 4 68.12 10.69 1.3765 3 -3 2 4 69.97 1.52 1.3446 1 -5 5 4 70.03 5.20 1.3435 1 3 4 4 70.14 3.53 1.3417 3 3 1 4 70.56 4.83 1.3348 3 -1 3 4 70.90 22.61 1.3292 3 2 2 4 70.92 21.77 1.3289 3 -2 3 4 70.98 16.38 1.3279 3 -4 1 4 71.09 1.88 1.3262 2 -5 4 4 71.66 2.01 1.3169 2 6 0 4 71.78 1.26 1.3151 3 0 3 4 71.93 3.49 1.3127 0 6 2 2 72.01 3.43 1.3114 0 -6 5 2 72.31 2.75 1.3067 3 4 0 4 72.33 5.48 1.3065 3 -4 2 4 73.25 2.06 1.2922 2 2 4 4 73.53 1.35 1.2880 0 2 5 2 74.25 2.00 1.2773 2 -1 5 4 75.01 1.21 1.2662 2 5 2 4 75.17 1.24 1.2640 1 6 2 4 75.21 5.54 1.2633 1 5 3 4 75.94 1.28 1.2530 2 4 3 4 76.00 2.00 1.2521 2 -4 5 4 76.26 3.12 1.2486 3 4 1 4 76.55 1.01 1.2446 0 -8 3 2 76.72 1.64 1.2422 1 -3 6 4 76.75 1.54 1.2418 1 2 5 4 76.75 1.28 1.2418 2 0 5 4 77.30 1.30 1.2343 3 -5 1 4 78.10 3.30 1.2237 1 4 4 4 78.18 3.09 1.2227 1 -4 6 4 78.39 1.22 1.2199 1 -1 6 4 78.41 1.82 1.2196 1 -8 2 4 78.43 1.18 1.2193 2 -7 1 4 79.12 1.26 1.2104 3 -1 4 4 79.63 2.79 1.2039 2 -5 5 4 79.69 1.80 1.2032 1 -8 1 4 79.69 1.41 1.2032 2 3 4 4 80.39 2.36 1.1945 0 8 0 2 80.74 2.65 1.1902 2 1 5 4 80.93 2.85 1.1878 3 0 4 4 81.14 3.43 1.1854 1 -5 6 4 81.20 1.65 1.1846 3 -5 3 4 81.49 1.47 1.1812 1 0 6 4 81.91 2.80 1.1761 1 -7 5 4 82.37 12.49 1.1707 4 0 0 2 82.76 1.92 1.1662 3 -4 4 4 83.59 1.41 1.1568 1 -8 4 4 83.72 4.06 1.1552 3 5 1 4 83.75 3.11 1.1550 1 3 5 4 84.24 3.13 1.1495 3 1 4 4 84.25 2.55 1.1493 2 -7 4 4 84.48 4.33 1.1468 3 3 3 4 84.69 1.26 1.1445 2 5 3 4 84.98 1.39 1.1413 3 -6 2 4 85.58 1.16 1.1349 1 -6 6 4 86.86 1.32 1.1214 0 -8 5 2 86.95 1.50 1.1204 4 -1 2 4 86.96 3.01 1.1204 3 -5 4 4 87.37 2.79 1.1162 2 7 1 4 87.50 7.18 1.1148 2 4 4 4 87.50 2.71 1.1148 3 6 0 4 87.54 1.88 1.1144 3 -6 3 4 87.58 8.91 1.1141 2 -4 6 4 87.81 6.77 1.1117 2 -8 2 4 89.02 1.48 1.0997 3 2 4 4 89.05 2.31 1.0994 3 -2 5 4 89.06 1.61 1.0993 2 -8 1 4 89.11 1.07 1.0988 4 3 0 4 89.62 4.51 1.0939 3 -3 5 4 89.87 1.79 1.0915 1 8 1 4 89.96 1.30 1.0906 1 -8 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.