Arakiite Cooper M A, Hawthorne F C The Canadian Mineralogist 37 (1999) 1471-1482 The effect of differences in coordination on ordering of polyvalent cations in close-packed structures: The crystal structure of arakiite and comparison with hematolite _database_code_amcsd 0005637 CELL PARAMETERS: 14.2360 8.2060 24.2250 90.000 93.520 90.000 SPACE GROUP: Cc X-RAY WAVELENGTH: 1.541838 Cell Volume: 2824.641 Density (g/cm3): 3.412 MAX. ABS. INTENSITY / VOLUME**2: 8.494147359 RIR: 0.811 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 7.31 100.00 12.0896 0 0 2 1 12.46 7.09 7.1046 2 0 0 1 12.88 7.84 6.8751 -1 1 1 2 13.09 5.51 6.7618 1 1 1 2 14.07 2.24 6.2964 -2 0 2 1 14.65 63.93 6.0448 0 0 4 1 14.85 13.34 5.9673 2 0 2 1 16.37 15.31 5.4133 -1 1 3 2 16.89 24.63 5.2508 1 1 3 2 18.68 21.19 4.7501 -2 0 4 1 19.86 3.56 4.4704 2 0 4 1 21.66 35.69 4.1030 0 2 0 2 21.66 1.12 4.1021 3 1 0 2 21.78 39.76 4.0803 -3 1 1 2 21.91 12.38 4.0563 -1 1 5 2 21.97 2.24 4.0452 0 2 1 2 22.06 45.68 4.0299 0 0 6 1 22.17 19.04 4.0093 3 1 1 2 22.51 6.56 3.9490 -3 1 2 2 22.56 24.85 3.9420 1 1 5 2 22.89 3.22 3.8853 0 2 2 2 23.27 9.20 3.8232 3 1 2 2 23.81 2.13 3.7371 -3 1 3 2 24.34 12.31 3.6565 0 2 3 2 24.72 1.66 3.6014 -2 0 6 1 25.06 2.75 3.5530 2 2 0 2 25.07 1.09 3.5523 4 0 0 1 25.59 11.61 3.4814 -3 1 4 2 25.70 2.95 3.4663 -4 0 2 1 25.92 10.78 3.4376 -2 2 2 2 26.08 12.86 3.4164 2 0 6 1 26.25 8.80 3.3948 0 2 4 2 26.36 21.54 3.3809 2 2 2 2 26.58 6.37 3.3530 4 0 2 1 26.91 12.29 3.3135 3 1 4 2 27.75 1.15 3.2149 2 2 3 2 27.76 29.84 3.2137 -3 1 5 2 28.35 15.34 3.1482 -4 0 4 1 28.38 32.93 3.1448 -1 1 7 2 28.53 18.61 3.1286 0 2 5 2 28.75 21.41 3.1050 -2 2 4 2 29.09 17.55 3.0698 1 1 7 2 29.29 24.41 3.0493 3 1 5 2 29.55 28.23 3.0228 2 2 4 2 29.56 13.10 3.0224 0 0 8 1 29.95 20.13 2.9836 4 0 4 1 30.25 10.03 2.9544 -3 1 6 2 31.11 4.11 2.8751 0 2 6 2 31.45 8.52 2.8448 -2 0 8 1 31.95 9.58 2.8013 3 1 6 2 32.56 19.14 2.7498 -4 0 6 1 32.91 5.84 2.7217 2 0 8 1 33.00 1.63 2.7143 -3 1 7 2 33.10 17.29 2.7067 -2 2 6 2 33.36 2.33 2.6860 1 3 0 2 33.37 7.01 2.6854 5 1 0 2 33.40 7.89 2.6829 -4 2 1 2 33.53 5.06 2.6730 -1 3 1 2 33.75 3.37 2.6557 4 2 1 2 33.77 2.76 2.6543 -5 1 2 2 33.80 6.55 2.6521 5 1 1 2 33.85 8.50 2.6478 -4 2 2 2 33.92 6.34 2.6425 0 2 7 2 34.11 15.40 2.6285 -1 3 2 2 34.15 24.98 2.6254 2 2 6 2 34.28 1.24 2.6157 1 3 2 2 34.55 7.66 2.5963 4 2 2 2 34.59 8.20 2.5932 -5 1 3 2 34.64 4.00 2.5899 5 1 2 2 34.67 3.15 2.5872 4 0 6 1 34.71 1.89 2.5841 -4 2 3 2 34.83 3.66 2.5756 3 1 7 2 35.09 17.01 2.5572 -1 3 3 2 35.35 4.77 2.5394 1 3 3 2 35.35 1.90 2.5389 -1 1 9 2 35.86 18.16 2.5045 5 1 3 2 35.96 17.48 2.4977 -4 2 4 2 35.96 5.40 2.4975 -3 1 8 2 36.10 3.04 2.4878 1 1 9 2 36.45 5.99 2.4652 -1 3 4 2 36.77 3.03 2.4441 1 3 4 2 36.94 4.78 2.4335 0 2 8 2 37.18 9.28 2.4179 0 0 10 1 37.26 11.61 2.4131 4 2 4 2 37.35 11.52 2.4077 -5 1 5 2 37.43 21.69 2.4029 5 1 4 2 37.55 25.66 2.3955 -4 2 5 2 37.90 2.82 2.3737 3 1 8 2 37.99 1.03 2.3687 3 3 0 2 38.00 7.20 2.3682 6 0 0 1 38.06 13.61 2.3645 -3 3 1 2 38.14 14.98 2.3598 -1 3 5 2 38.28 3.45 2.3514 -6 0 2 1 38.29 7.12 2.3504 3 3 1 2 38.51 9.07 2.3379 -2 2 8 2 38.53 11.39 2.3366 1 3 5 2 39.09 1.22 2.3043 -3 1 9 2 39.12 2.42 2.3029 4 2 5 2 39.22 3.50 2.2970 -5 1 6 2 39.31 4.45 2.2919 5 1 5 2 39.45 3.56 2.2843 -4 2 6 2 40.00 2.09 2.2539 3 3 3 2 40.13 3.67 2.2471 -1 3 6 2 40.35 2.58 2.2352 4 0 8 1 40.58 4.99 2.2232 1 3 6 2 41.13 1.87 2.1946 3 1 9 2 41.25 1.91 2.1884 4 2 6 2 41.37 1.36 2.1823 -5 1 7 2 41.48 1.64 2.1771 5 1 6 2 41.63 1.52 2.1695 -4 2 7 2 41.81 4.19 2.1604 6 0 4 1 41.95 7.23 2.1535 -3 3 5 2 42.39 5.83 2.1324 -1 3 7 2 42.89 2.87 2.1086 1 3 7 2 43.03 4.57 2.1019 3 3 5 2 43.10 2.19 2.0988 -6 0 6 1 43.44 3.94 2.0831 0 2 10 2 43.64 7.73 2.0740 4 2 7 2 43.78 7.33 2.0679 -5 1 8 2 43.89 7.77 2.0629 5 1 7 2 44.05 7.57 2.0555 -4 2 8 2 44.15 3.36 2.0515 0 4 0 2 44.16 5.67 2.0511 6 2 0 2 44.68 2.79 2.0281 -2 2 10 2 44.88 10.51 2.0194 -1 3 8 2 44.99 1.11 2.0149 0 0 12 1 45.43 8.43 1.9963 1 3 8 2 45.78 3.82 1.9819 -3 1 11 2 45.99 1.71 1.9735 -7 1 1 2 46.05 1.21 1.9710 2 2 10 2 46.05 1.18 1.9710 2 4 0 2 46.06 1.77 1.9705 -2 0 12 1 46.52 5.06 1.9520 5 1 8 2 46.70 3.85 1.9450 -4 2 9 2 46.73 1.68 1.9441 4 0 10 1 46.76 1.82 1.9427 0 4 4 2 46.80 1.34 1.9410 -7 1 3 2 46.83 1.45 1.9401 2 4 2 2 47.03 1.20 1.9321 5 3 2 2 47.19 2.46 1.9261 3 3 7 2 47.29 1.74 1.9223 -6 0 8 1 47.57 4.00 1.9116 6 2 4 2 47.66 1.83 1.9080 2 0 12 1 47.68 1.51 1.9073 -7 1 4 2 47.94 1.25 1.8976 -5 3 4 2 47.98 1.23 1.8960 3 1 11 2 48.18 1.36 1.8886 0 4 5 2 48.18 2.22 1.8886 1 3 9 2 48.19 1.91 1.8883 7 1 3 2 48.33 2.68 1.8834 -2 4 4 2 48.73 3.98 1.8685 -6 2 6 2 48.85 1.09 1.8645 2 4 4 2 49.06 7.75 1.8568 4 2 9 2 49.18 2.11 1.8528 -5 3 5 2 49.22 7.42 1.8511 -5 1 10 2 49.24 1.33 1.8506 5 3 4 2 50.33 3.81 1.8130 -1 1 13 2 50.39 2.73 1.8109 6 0 8 1 50.49 2.40 1.8075 -1 3 10 2 50.58 4.70 1.8044 -3 3 9 2 50.76 1.62 1.7985 5 3 5 2 51.12 3.07 1.7868 1 3 10 2 51.15 2.15 1.7860 1 1 13 2 51.44 2.51 1.7765 4 4 0 2 51.44 4.56 1.7763 -2 2 12 2 51.55 1.66 1.7730 -8 0 2 1 51.99 3.53 1.7588 2 4 6 2 52.04 2.56 1.7572 -7 1 7 2 52.06 2.19 1.7568 4 2 10 2 52.23 1.76 1.7515 -5 1 11 2 52.27 3.28 1.7503 3 3 9 2 52.28 2.89 1.7499 4 4 2 2 52.37 7.12 1.7472 5 1 10 2 52.39 1.67 1.7463 -6 0 10 1 52.55 1.07 1.7414 5 3 6 2 52.56 8.73 1.7411 -4 2 11 2 52.57 2.27 1.7407 -6 2 8 2 52.82 2.27 1.7331 -8 0 4 1 53.02 1.15 1.7271 0 0 14 1 53.56 5.78 1.7109 -1 3 11 2 53.66 3.26 1.7082 4 0 12 1 54.02 2.41 1.6974 0 4 8 2 54.14 1.64 1.6940 0 2 13 2 54.23 2.12 1.6915 1 3 11 2 54.26 1.32 1.6905 4 4 4 2 54.59 3.14 1.6812 5 3 7 2 55.01 2.61 1.6693 7 1 7 2 55.20 2.76 1.6640 -2 4 8 2 55.21 2.23 1.6636 4 2 11 2 55.40 2.33 1.6585 -5 1 12 2 55.46 1.04 1.6567 6 2 8 2 55.54 4.46 1.6545 5 1 11 2 55.75 3.81 1.6489 -4 2 12 2 55.92 1.67 1.6443 -4 4 6 2 56.00 2.50 1.6422 6 0 10 1 56.14 1.45 1.6382 2 4 8 2 56.21 4.68 1.6365 -3 3 11 2 56.22 1.59 1.6361 -7 1 9 2 56.44 1.45 1.6304 1 5 0 2 56.60 1.89 1.6261 -7 3 2 2 56.72 1.78 1.6229 -3 1 14 2 56.74 1.09 1.6223 -5 3 9 2 56.80 6.40 1.6209 -1 3 12 2 56.83 2.04 1.6202 8 2 1 2 56.94 1.52 1.6172 -1 5 2 2 57.09 2.06 1.6132 -7 3 3 2 57.47 2.43 1.6034 8 2 2 2 57.49 3.85 1.6029 1 3 12 2 57.60 2.70 1.6002 -1 5 3 2 57.86 1.31 1.5937 -7 3 4 2 57.92 1.28 1.5922 -4 0 14 1 58.02 4.33 1.5897 8 0 6 1 58.12 3.28 1.5871 3 3 11 2 58.27 1.58 1.5834 -6 0 12 1 58.30 1.37 1.5826 7 3 3 2 58.39 1.16 1.5804 8 2 3 2 58.53 14.67 1.5770 4 2 12 2 58.53 1.51 1.5769 -1 5 4 2 58.72 3.29 1.5724 -2 2 14 2 58.72 14.65 1.5723 -5 1 13 2 58.76 1.27 1.5713 1 5 4 2 58.87 2.65 1.5686 5 1 12 2 58.89 1.86 1.5683 -7 3 5 2 59.05 1.57 1.5643 0 4 10 2 59.09 1.93 1.5634 -4 2 13 2 59.13 1.64 1.5623 3 1 14 2 59.16 1.57 1.5617 1 1 15 2 59.52 24.42 1.5532 -9 1 1 2 59.55 6.25 1.5525 -4 4 8 2 59.57 3.21 1.5519 8 2 4 2 59.59 5.48 1.5514 -6 4 1 2 59.62 7.44 1.5507 3 5 0 2 59.63 17.76 1.5506 6 4 0 2 59.64 3.14 1.5504 9 1 0 2 59.67 2.60 1.5496 -9 1 2 2 59.67 13.71 1.5496 -3 5 1 2 59.73 2.93 1.5482 -1 5 5 2 59.83 4.31 1.5459 -6 4 2 2 59.84 5.43 1.5456 3 5 1 2 59.93 1.81 1.5435 6 4 1 2 59.99 2.14 1.5421 -3 5 2 2 60.01 2.83 1.5416 1 5 5 2 60.01 3.95 1.5415 -8 2 6 2 60.02 1.03 1.5413 9 1 1 2 60.19 2.36 1.5375 -1 3 13 2 60.30 1.76 1.5349 2 2 14 2 60.33 1.15 1.5342 -6 4 3 2 60.58 1.82 1.5285 -3 5 3 2 60.75 1.49 1.5246 6 2 10 2 60.77 1.32 1.5240 -9 1 4 2 60.86 2.59 1.5221 7 3 5 2 60.91 8.84 1.5209 1 3 13 2 61.08 1.45 1.5172 3 5 3 2 61.10 1.59 1.5167 -6 4 4 2 61.17 1.12 1.5151 -1 5 6 2 61.33 1.76 1.5114 6 4 3 2 61.34 1.43 1.5114 4 4 8 2 61.35 2.50 1.5112 0 0 16 1 61.43 1.08 1.5094 -3 5 4 2 61.51 2.08 1.5077 1 5 6 2 61.72 3.88 1.5030 -7 3 7 2 62.36 3.27 1.4891 5 1 13 2 62.58 3.07 1.4843 -4 2 14 2 62.68 2.61 1.4823 8 2 6 2 62.86 1.52 1.4784 -1 5 7 2 63.28 2.06 1.4697 -8 2 8 2 63.35 1.05 1.4681 3 5 5 2 64.37 1.50 1.4474 -9 1 7 2 64.39 2.64 1.4469 7 3 7 2 64.48 1.13 1.4451 1 3 14 2 64.92 1.11 1.4363 -6 4 7 2 66.66 1.85 1.4030 -1 1 17 2 67.56 1.53 1.3865 1 1 17 2 67.79 1.12 1.3824 -5 3 13 2 67.96 1.65 1.3793 -9 1 9 2 68.17 2.09 1.3755 2 2 16 2 68.20 3.84 1.3751 1 3 15 2 68.53 1.97 1.3693 -9 3 1 2 69.20 1.33 1.3576 6 4 8 2 69.37 2.54 1.3546 4 2 15 2 69.59 2.07 1.3509 -5 1 16 2 70.01 1.10 1.3439 -4 2 16 2 70.06 1.19 1.3430 -10 2 2 2 70.07 1.04 1.3428 8 4 0 2 70.61 1.25 1.3339 0 6 4 2 70.86 1.36 1.3298 -6 4 10 2 70.98 1.03 1.3279 8 4 2 2 71.03 1.39 1.3271 -10 2 4 2 71.55 1.28 1.3187 9 3 4 2 71.70 1.17 1.3163 -9 3 6 2 72.16 2.24 1.3091 9 1 9 2 72.45 1.93 1.3045 -9 1 11 2 72.72 1.49 1.3003 5 5 7 2 73.29 1.67 1.2916 4 2 16 2 73.39 1.36 1.2902 2 6 5 2 73.52 1.39 1.2882 -5 1 17 2 73.93 1.70 1.2820 6 4 10 2 74.11 1.79 1.2793 -3 5 11 2 74.79 1.11 1.2695 -2 2 18 2 75.91 1.12 1.2534 -6 4 12 2 76.64 1.21 1.2433 4 6 4 2 77.44 1.07 1.2324 8 4 7 2 77.60 1.01 1.2303 -1 5 13 2 77.63 1.02 1.2299 -10 2 9 2 78.25 1.51 1.2218 1 5 13 2 78.36 1.66 1.2202 -8 2 14 2 79.24 3.86 1.2090 0 0 20 1 80.19 1.07 1.1970 7 3 13 2 83.49 1.10 1.1578 -10 4 4 2 85.45 1.24 1.1362 10 4 4 2 85.97 1.29 1.1307 5 3 17 2 86.65 1.77 1.1236 -2 6 12 2 87.76 1.08 1.1122 -12 2 6 2 87.82 1.37 1.1116 2 6 12 2 89.59 1.10 1.0942 8 4 12 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.