Hydroxylclinohumite Berry A J, James M American Mineralogist 86 (2001) 181-184 Refinement of hydrogen positions in synthetic hydroxyl-clinohumite by powder neutron diffraction _database_code_amcsd 0002626 CELL PARAMETERS: 4.7488 10.2875 13.6967 100.630 90.000 90.000 SPACE GROUP: P2_1/b X-RAY WAVELENGTH: 1.541838 Cell Volume: 657.646 Density (g/cm3): 3.136 MAX. ABS. INTENSITY / VOLUME**2: 2.882140505 RIR: 0.299 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 6.57 10.40 13.4616 0 0 1 2 13.15 7.00 6.7308 0 0 2 2 17.54 3.67 5.0555 0 2 0 2 17.56 53.52 5.0492 0 -2 1 2 19.79 7.79 4.4872 0 0 3 2 19.87 10.76 4.4692 0 2 1 2 19.92 25.41 4.4562 0 -2 2 2 21.20 5.33 4.1910 1 -1 1 4 22.20 2.19 4.0047 1 1 1 4 22.92 38.90 3.8803 1 0 2 4 23.88 52.30 3.7257 0 2 2 2 23.97 38.58 3.7132 0 -2 3 2 25.45 34.54 3.5003 1 1 2 4 25.74 24.97 3.4613 1 2 0 4 25.75 10.16 3.4592 1 -2 1 4 26.48 24.15 3.3654 0 0 4 2 27.34 7.61 3.2615 1 0 3 4 27.40 7.27 3.2546 1 2 1 4 27.59 31.46 3.2332 1 -1 3 4 29.89 3.90 2.9891 1 1 3 4 30.50 1.69 2.9312 1 2 2 4 30.56 9.92 2.9251 1 -2 3 4 32.25 89.65 2.7760 1 -3 1 4 32.48 35.94 2.7568 1 -1 4 4 32.58 38.03 2.7485 1 3 0 4 32.61 2.15 2.7458 1 0 4 4 33.28 13.34 2.6923 0 0 5 2 33.31 1.08 2.6901 1 -3 2 4 34.27 45.00 2.6169 1 3 1 4 34.64 1.32 2.5897 0 2 4 2 34.74 1.00 2.5822 0 -2 5 2 35.13 100.00 2.5544 1 1 4 4 35.65 99.32 2.5186 1 -3 3 4 37.15 48.00 2.4203 1 3 2 4 37.39 16.45 2.4052 0 4 1 2 37.48 12.37 2.3998 0 -4 3 2 38.02 75.76 2.3667 1 -1 5 4 38.96 21.58 2.3115 2 1 0 4 39.64 61.02 2.2736 1 2 4 4 39.73 64.48 2.2685 1 -2 5 4 39.86 74.78 2.2615 1 -4 1 4 40.49 2.79 2.2281 0 -4 4 2 40.73 8.63 2.2151 2 -1 2 4 40.92 7.24 2.2052 1 1 5 4 41.01 9.74 2.2009 1 3 3 4 41.85 19.98 2.1584 2 1 2 4 43.27 8.89 2.0911 2 -1 3 4 43.36 3.02 2.0866 1 -3 5 4 44.04 2.21 2.0562 1 -1 6 4 44.25 1.71 2.0468 0 4 3 2 44.40 5.46 2.0402 0 -4 5 2 46.56 7.39 1.9507 2 -3 1 4 46.80 1.13 1.9411 2 3 0 4 47.14 2.92 1.9279 1 1 6 4 48.23 10.00 1.8870 1 -5 1 4 48.50 2.58 1.8769 1 -5 2 4 49.77 4.04 1.8322 1 -5 3 4 50.45 6.82 1.8091 1 -1 7 4 50.66 6.44 1.8020 1 5 1 4 51.25 3.40 1.7827 1 2 6 4 51.30 6.36 1.7808 2 0 5 4 51.36 3.72 1.7791 1 -2 7 4 52.27 82.64 1.7501 2 2 4 4 52.35 77.89 1.7478 2 -2 5 4 52.45 57.36 1.7446 2 -4 1 4 52.79 1.57 1.7342 1 4 4 4 53.72 1.70 1.7062 1 1 7 4 53.92 7.54 1.7004 1 -3 7 4 54.29 14.35 1.6897 2 4 1 4 54.35 1.84 1.6879 0 -4 7 2 54.35 11.25 1.6878 2 -4 3 4 54.52 2.27 1.6831 0 -6 3 2 55.03 1.10 1.6688 1 -5 5 4 55.33 3.60 1.6604 2 -3 5 4 56.25 14.11 1.6353 0 6 1 2 56.37 11.23 1.6322 0 -6 4 2 56.65 2.40 1.6248 2 -4 4 4 56.68 5.26 1.6239 1 5 3 4 56.73 21.83 1.6226 1 3 6 4 57.21 1.94 1.6101 1 -6 1 4 57.25 2.84 1.6091 2 3 4 4 58.53 2.37 1.5770 2 1 6 4 58.86 4.16 1.5690 1 -5 6 4 59.07 4.40 1.5639 3 1 0 4 59.29 1.90 1.5585 3 -1 1 4 59.64 1.80 1.5503 2 4 3 4 59.76 6.99 1.5474 2 -4 5 4 59.97 8.42 1.5426 0 4 6 2 59.99 10.78 1.5421 1 -3 8 4 60.04 3.22 1.5409 3 0 2 4 60.18 8.12 1.5377 0 -4 8 2 60.38 2.74 1.5330 3 -1 2 4 60.80 1.98 1.5233 2 -5 3 4 61.17 3.42 1.5150 0 2 8 2 61.23 5.16 1.5138 3 1 2 4 61.30 2.87 1.5122 0 -2 9 2 61.37 1.91 1.5106 3 2 0 4 61.38 1.96 1.5104 3 -2 1 4 61.40 3.97 1.5100 2 -1 7 4 61.59 4.95 1.5059 2 5 1 4 62.05 61.44 1.4957 0 0 9 2 62.10 1.19 1.4946 2 2 6 4 62.31 1.55 1.4900 3 -1 3 4 62.33 48.12 1.4897 0 6 3 2 62.53 47.12 1.4854 0 -6 6 2 62.74 2.06 1.4809 2 -5 4 4 63.47 2.09 1.4656 2 4 4 4 63.60 1.26 1.4629 1 -4 8 4 63.93 1.28 1.4561 3 -2 3 4 64.30 1.13 1.4486 2 1 7 4 64.91 5.27 1.4366 3 -3 1 4 65.04 2.35 1.4340 3 -1 4 4 65.10 1.47 1.4328 3 3 0 4 66.12 3.19 1.4131 3 3 1 4 66.53 6.31 1.4056 1 -3 9 4 66.64 21.34 1.4033 1 -7 2 4 66.66 6.94 1.4030 3 1 4 4 66.82 2.65 1.4000 1 -7 1 4 66.99 9.50 1.3970 3 -3 3 4 67.28 2.21 1.3916 1 -7 3 4 67.95 3.79 1.3795 3 3 2 4 68.52 6.10 1.3694 3 -1 5 4 68.55 1.04 1.3689 1 -5 8 4 68.96 1.03 1.3618 2 -5 6 4 69.61 21.70 1.3506 3 2 4 4 69.67 20.79 1.3495 3 -2 5 4 69.76 17.25 1.3481 3 -4 1 4 69.79 6.32 1.3477 1 3 8 4 69.84 1.53 1.3468 2 6 1 4 71.11 2.46 1.3259 1 5 6 4 71.29 3.05 1.3229 0 6 5 2 71.33 2.19 1.3223 3 4 1 4 71.38 4.37 1.3214 3 -4 3 4 71.56 4.49 1.3185 0 -6 8 2 73.16 1.39 1.2936 2 4 6 4 73.17 1.05 1.2934 3 0 6 4 73.29 1.44 1.2917 3 4 2 4 73.35 2.32 1.2907 2 -4 8 4 73.54 4.37 1.2879 1 -3 10 4 74.02 1.37 1.2806 2 -1 9 4 74.45 1.04 1.2744 1 6 5 4 75.06 2.28 1.2656 2 0 9 4 75.29 1.14 1.2622 2 5 5 4 75.85 1.03 1.2543 3 -5 1 4 76.00 1.80 1.2522 3 4 3 4 76.21 3.07 1.2493 1 4 8 4 76.45 2.65 1.2459 1 -4 10 4 76.79 1.60 1.2412 1 -8 2 4 77.03 1.38 1.2379 1 3 9 4 77.15 2.26 1.2364 1 5 7 4 77.45 1.85 1.2323 2 1 9 4 78.02 2.43 1.2247 2 -5 8 4 78.22 3.92 1.2222 3 0 7 4 79.20 1.20 1.2095 2 3 8 4 79.74 1.53 1.2026 0 8 2 2 80.21 1.15 1.1967 3 1 7 4 80.46 1.09 1.1936 2 5 6 4 80.69 2.52 1.1908 1 -5 10 4 80.99 12.13 1.1872 4 0 0 2 81.16 1.98 1.1851 1 0 11 4 81.29 1.22 1.1836 3 -5 5 4 82.06 1.26 1.1744 1 -7 8 4 82.67 3.83 1.1673 3 5 3 4 82.71 4.38 1.1668 3 3 6 4 83.01 1.18 1.1633 1 -8 6 4 83.19 2.26 1.1613 2 -7 6 4 84.52 3.49 1.1463 3 -5 6 4 84.68 2.44 1.1446 2 7 3 4 84.83 1.77 1.1429 1 3 10 4 84.90 1.43 1.1422 0 2 11 2 85.05 1.36 1.1406 0 -2 12 2 85.34 2.42 1.1374 3 6 1 4 85.40 6.96 1.1368 2 4 8 4 85.44 2.48 1.1363 3 -6 4 4 85.50 2.29 1.1357 3 -3 8 4 85.64 6.86 1.1343 2 -4 10 4 85.97 6.43 1.1307 2 -8 2 4 86.08 1.23 1.1296 3 1 8 4 86.17 1.62 1.1286 1 8 3 4 87.42 1.34 1.1157 2 8 0 4 88.29 1.20 1.1069 1 -1 12 4 88.44 1.06 1.1054 4 1 4 4 88.50 3.34 1.1048 3 4 6 4 88.69 2.18 1.1029 3 -4 8 4 89.19 4.39 1.0980 1 -3 12 4 89.55 1.56 1.0945 3 2 8 4 89.67 1.34 1.0934 3 -2 9 4 89.68 1.43 1.0933 1 9 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.