Clinohumite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060559 Friedrich A, Lager G A, Kunz M, Chakoumakos B C, Smyth J R, Schultz A J American Mineralogist 86 (2001) 981-989 Temperature-dependent single-crystal neutron diffraction study of natural chondrodite and clinohumite Sample: from Kukh-i-Lal, Pamir, Tadjikistan at T = 295 K CELL PARAMETERS: 4.7392 10.2445 13.6483 100.911 90.000 90.000 SPACE GROUP: P2_1/b ATOM X Y Z OCCUPANCY ISO(B) Mg 0.50000 0.00000 0.50000 1.000 0.466 Mg 0.49730 0.94630 0.27416 1.000 0.466 Mg 0.01090 0.14010 0.16985 1.000 0.482 Mg 0.50850 0.25020 0.38824 1.000 0.458 Mg 0.49210 0.87640 0.04340 0.896 0.379 Ti 0.49210 0.87640 0.04340 0.104 0.379 Si 0.07300 0.06640 0.38960 1.000 0.332 Si 0.07640 0.17690 0.83520 1.000 0.300 O 0.73310 0.06430 0.38799 1.000 0.426 O 0.27850 0.41952 0.38773 1.000 0.442 O 0.22270 0.11220 0.29331 1.000 0.458 O 0.22170 0.15860 0.48644 1.000 0.458 O 0.23580 0.32290 0.16276 1.000 0.426 O 0.77780 0.96863 0.16281 1.000 0.482 O 0.72440 0.27970 0.26225 1.000 0.474 O 0.72740 0.22740 0.06980 1.000 0.482 O 0.26160 0.04580 0.05494 0.440 0.647 H 0.08800 0.01200 0.01160 0.400 1.650 F 0.26160 0.04580 0.05495 0.540 0.647 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 9 +/- 12 MAX. ABS. INTENSITY / VOLUME**2: 3.342138509 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 6.60 2.18 13.4016 0 0 1 13.21 1.73 6.7008 0 0 2 17.62 44.38 5.0327 0 -2 1 17.63 3.43 5.0297 0 2 0 19.87 3.57 4.4672 0 0 3 19.97 24.68 4.4469 0 -2 2 20.00 7.97 4.4405 0 2 1 21.24 5.55 4.1825 1 -1 1 22.27 2.67 3.9910 1 1 1 22.99 31.57 3.8693 1 0 2 24.01 35.05 3.7065 0 -2 3 24.05 52.25 3.7003 0 2 2 25.55 33.14 3.4859 1 1 2 25.82 9.65 3.4502 1 -2 1 25.83 21.23 3.4492 1 2 0 26.61 19.45 3.3504 0 0 4 27.44 6.78 3.2507 1 0 3 27.53 6.64 3.2404 1 2 1 27.65 30.51 3.2259 1 -1 3 29.14 1.08 3.0644 0 2 3 30.03 5.30 2.9756 1 1 3 30.62 10.81 2.9196 1 -2 3 30.65 1.57 2.9166 1 2 2 32.35 89.39 2.7670 1 -3 1 32.56 30.83 2.7497 1 -1 4 32.72 28.33 2.7373 1 3 0 32.73 1.88 2.7358 1 0 4 33.39 1.65 2.6833 1 -3 2 33.43 13.35 2.6803 0 0 5 34.44 43.50 2.6042 1 3 1 34.82 1.03 2.5765 0 -2 5 34.87 1.63 2.5727 0 2 4 35.30 100.00 2.5423 1 1 4 35.72 94.23 2.5134 1 -3 3 37.36 38.86 2.4071 1 3 2 37.58 10.00 2.3937 0 -4 3 37.62 14.47 2.3910 0 4 1 38.13 67.66 2.3599 1 -1 5 39.05 23.55 2.3065 2 1 0 39.82 58.18 2.2636 1 -2 5 39.87 54.44 2.2611 1 2 4 39.95 1.01 2.2567 2 1 1 40.02 69.59 2.2532 1 -4 1 40.38 1.01 2.2336 0 0 6 40.57 3.16 2.2235 0 -4 4 40.82 7.61 2.2106 2 -1 2 41.13 5.00 2.1945 1 1 5 41.26 8.48 2.1882 1 3 3 41.98 18.28 2.1523 2 1 2 43.36 8.92 2.0867 2 -1 3 43.45 3.44 2.0827 1 -3 5 44.18 2.06 2.0498 1 -1 6 44.49 5.26 2.0364 0 -4 5 44.57 1.73 2.0331 0 4 3 46.69 5.81 1.9456 2 -3 1 47.39 2.29 1.9185 1 1 6 47.51 1.15 1.9138 0 -2 7 48.43 9.51 1.8794 1 -5 1 48.68 2.48 1.8706 1 -5 2 49.92 3.77 1.8270 1 -5 3 50.62 6.65 1.8031 1 -1 7 50.94 6.37 1.7926 1 5 1 51.47 5.55 1.7753 2 0 5 51.50 3.08 1.7745 1 -2 7 51.55 5.09 1.7728 1 2 6 52.46 73.04 1.7441 2 -2 5 52.50 75.65 1.7430 2 2 4 52.62 52.58 1.7393 2 -4 1 54.01 1.47 1.6979 1 1 7 54.04 6.73 1.6968 1 -3 7 54.46 1.36 1.6847 0 -4 7 54.49 8.52 1.6840 2 -4 3 54.52 16.52 1.6831 2 4 1 54.72 1.28 1.6776 0 -6 3 55.44 3.09 1.6572 2 -3 5 56.54 12.26 1.6277 0 -6 4 56.60 13.66 1.6261 0 6 1 56.78 3.71 1.6214 2 -4 4 57.06 5.09 1.6141 1 5 3 57.11 20.34 1.6128 1 3 6 57.48 1.62 1.6033 1 -6 1 57.54 2.47 1.6017 2 3 4 58.78 2.63 1.5708 2 1 6 58.98 3.79 1.5660 1 -5 6 59.21 4.32 1.5606 3 1 0 59.42 1.54 1.5554 3 -1 1 59.89 6.85 1.5444 2 -4 5 59.95 2.02 1.5430 2 4 3 60.14 11.66 1.5386 1 -3 8 60.18 2.76 1.5376 3 0 2 60.31 7.78 1.5346 0 -4 8 60.42 8.61 1.5322 0 4 6 60.52 2.27 1.5299 3 -1 2 60.98 2.21 1.5194 2 -5 3 61.39 4.67 1.5102 3 1 2 61.51 2.82 1.5076 0 -2 9 61.53 1.95 1.5072 3 -2 1 61.53 2.50 1.5071 3 2 0 61.57 3.04 1.5062 0 2 8 61.60 4.10 1.5056 2 -1 7 61.88 5.72 1.4995 2 5 1 62.36 59.39 1.4891 0 0 9 62.37 1.46 1.4888 2 -2 7 62.46 1.44 1.4869 3 -1 3 62.68 46.52 1.4823 0 -6 6 62.78 44.42 1.4802 0 6 3 62.90 2.54 1.4775 2 -5 4 63.74 1.15 1.4600 1 -4 8 63.83 1.89 1.4583 2 4 4 64.08 1.79 1.4532 3 -2 3 65.08 5.42 1.4333 3 -3 1 65.20 1.68 1.4308 3 -1 4 66.34 3.30 1.4091 3 3 1 66.71 5.44 1.4021 1 -3 9 66.88 7.45 1.3990 3 1 4 66.94 22.54 1.3979 1 -7 2 67.14 9.83 1.3942 3 -3 3 67.15 1.26 1.3939 1 -7 1 67.54 1.65 1.3869 1 -7 3 68.19 3.63 1.3752 3 3 2 68.69 1.17 1.3664 1 -5 8 68.70 6.01 1.3662 3 -1 5 69.11 1.19 1.3591 2 -5 6 69.84 21.72 1.3467 3 -2 5 69.87 22.55 1.3462 3 2 4 69.97 15.71 1.3445 3 -4 1 70.20 1.51 1.3408 2 6 1 70.26 7.20 1.3397 1 3 8 71.56 5.12 1.3185 3 -4 3 71.59 3.51 1.3180 3 4 1 71.64 2.55 1.3173 1 5 6 71.71 4.05 1.3161 0 -6 8 71.85 4.48 1.3140 0 6 5 73.41 1.05 1.2898 3 0 6 73.52 2.35 1.2881 2 -4 8 73.62 1.13 1.2867 2 4 6 73.76 3.87 1.2846 1 -3 10 74.30 1.63 1.2765 2 -1 9 75.01 1.24 1.2662 1 6 5 75.39 2.34 1.2608 2 0 9 75.77 1.54 1.2554 2 5 5 76.11 1.34 1.2507 3 -5 1 76.34 1.71 1.2474 3 4 3 76.53 1.09 1.2449 2 -7 2 76.65 2.76 1.2431 1 -4 10 76.78 2.96 1.2414 1 4 8 77.16 1.31 1.2362 1 -8 2 77.57 1.09 1.2307 1 3 9 77.74 2.40 1.2284 1 5 7 77.83 1.24 1.2272 1 -7 7 77.85 2.35 1.2270 2 1 9 78.19 3.00 1.2224 2 -5 8 78.50 3.72 1.2185 3 0 7 79.69 1.18 1.2032 2 3 8 80.31 1.39 1.1955 0 8 2 80.54 1.09 1.1926 3 1 7 80.88 3.22 1.1885 1 -5 10 81.01 1.22 1.1869 2 5 6 81.18 11.71 1.1848 4 0 0 81.59 2.12 1.1800 1 0 11 82.25 1.40 1.1721 1 -7 8 83.08 4.13 1.1625 3 5 3 83.13 4.30 1.1620 3 3 6 83.27 1.07 1.1604 1 -8 6 83.42 2.66 1.1587 2 -7 6 84.73 3.51 1.1441 3 -5 6 85.23 2.87 1.1386 2 7 3 85.41 1.83 1.1367 0 -2 12 85.45 2.02 1.1363 1 3 10 85.48 1.41 1.1359 0 2 11 85.70 2.47 1.1336 3 -6 4 85.73 2.67 1.1333 3 -3 8 85.75 2.62 1.1331 3 6 1 85.87 6.86 1.1318 2 -4 10 85.99 6.13 1.1305 2 4 8 86.36 6.38 1.1266 2 -8 2 86.46 1.09 1.1255 3 1 8 86.68 1.17 1.1233 1 -8 7 86.81 1.25 1.1219 1 8 3 87.91 1.35 1.1107 2 8 0 88.72 1.52 1.1026 1 -1 12 88.72 1.56 1.1026 4 1 4 88.91 3.01 1.1008 3 -4 8 89.00 4.18 1.0999 3 4 6 89.51 4.99 1.0949 1 -3 12 89.66 1.07 1.0935 3 -1 9 89.96 1.75 1.0906 3 -2 9 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.