Werdingite Niven M L, Waters D J, Moore J M American Mineralogist 76 (1991) 246-256 The crystal structure of werdingite, (Mg,Fe)2Al12(Al,Fe)2Si4(B,Al)4O37, and its relationship to sillimanite, mullite and grandidierite _database_code_amcsd 0001344 CELL PARAMETERS: 7.9950 8.1520 11.4060 110.450 110.850 84.660 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 650.510 Density (g/cm3): 3.008 MAX. ABS. INTENSITY / VOLUME**2: 3.246950001 RIR: 0.351 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.82 37.12 10.0244 0 0 1 2 11.59 13.74 7.6334 0 1 0 2 11.85 9.46 7.4667 1 0 0 2 11.95 7.14 7.4065 0 -1 1 2 12.08 5.61 7.3274 -1 0 1 2 14.87 34.96 5.9595 -1 -1 1 2 16.31 67.89 5.4357 -1 1 0 2 16.82 18.22 5.2707 0 1 1 2 16.90 89.13 5.2448 1 1 0 2 17.09 11.70 5.1882 1 0 1 2 17.56 10.05 5.0508 0 -1 2 2 17.56 10.55 5.0497 -1 0 2 2 17.70 64.79 5.0122 0 0 2 2 17.71 10.22 5.0085 -1 -1 2 2 18.65 1.16 4.7579 1 -1 1 2 21.92 1.86 4.0545 0 -2 1 2 22.35 3.15 3.9787 -2 0 1 2 23.31 20.56 3.8167 0 2 0 2 23.79 9.16 3.7405 -1 -1 3 2 23.83 3.07 3.7333 2 0 0 2 23.88 2.98 3.7264 -1 -2 1 2 24.03 10.52 3.7039 -1 1 2 2 24.03 42.93 3.7033 0 -2 2 2 24.28 9.79 3.6660 1 -1 2 2 24.29 40.94 3.6637 -2 0 2 2 24.58 2.78 3.6210 1 0 2 2 24.61 2.92 3.6178 -2 -1 2 2 25.14 4.22 3.5420 -1 0 3 2 25.20 2.92 3.5340 0 -1 3 2 25.83 46.27 3.4487 -1 2 0 2 26.06 1.26 3.4195 1 -2 1 2 26.19 100.00 3.4020 -2 1 0 2 26.61 24.27 3.3503 1 2 0 2 26.68 10.50 3.3415 0 0 3 2 26.96 73.13 3.3074 2 1 0 2 27.69 8.98 3.2213 0 2 1 2 27.87 6.23 3.2016 -1 -2 3 2 28.04 4.06 3.1822 -2 -1 3 2 28.25 3.37 3.1587 2 0 1 2 28.58 1.52 3.1230 -1 2 1 2 28.92 2.47 3.0875 0 -2 3 2 29.07 2.42 3.0716 2 -1 1 2 29.19 6.46 3.0589 1 -2 2 2 29.20 6.83 3.0582 -2 1 2 2 29.96 11.65 2.9821 1 1 2 2 29.99 1.07 2.9797 -2 -2 2 2 30.85 2.27 2.8980 -2 -2 1 2 31.28 1.25 2.8598 -1 1 3 2 31.37 56.37 2.8515 -1 -1 4 2 31.77 1.72 2.8163 1 2 1 2 32.12 6.66 2.7866 2 1 1 2 32.96 81.61 2.7178 -2 2 0 2 33.25 3.97 2.6943 0 -3 1 2 33.64 4.52 2.6641 -1 2 2 2 33.65 4.26 2.6635 0 -3 2 2 33.97 1.17 2.6390 -3 0 1 2 34.04 3.21 2.6340 -1 -3 2 2 34.09 3.59 2.6300 -2 2 1 2 34.19 31.08 2.6224 2 2 0 2 34.20 2.68 2.6217 2 -1 2 2 34.22 3.07 2.6202 -3 0 2 2 34.39 2.54 2.6079 -2 1 3 2 34.58 2.31 2.5941 2 0 2 2 34.77 3.05 2.5803 -1 -3 1 2 35.27 1.95 2.5445 0 3 0 2 35.41 3.63 2.5348 -3 -1 1 2 35.55 19.01 2.5254 0 -2 4 2 35.56 20.68 2.5249 -2 0 4 2 35.69 2.96 2.5160 -1 -3 3 2 35.83 10.14 2.5061 0 0 4 2 35.86 10.17 2.5043 -2 -2 4 2 36.06 2.90 2.4907 1 -3 1 2 36.14 1.61 2.4853 -3 -1 3 2 36.39 1.93 2.4688 0 -3 3 2 36.60 1.09 2.4553 -3 1 1 2 36.91 1.95 2.4352 -1 3 0 2 37.48 5.84 2.3997 1 -3 2 2 37.61 1.51 2.3916 -3 1 0 2 37.76 11.39 2.3826 1 3 0 2 37.83 5.11 2.3781 -3 1 2 2 38.44 2.05 2.3418 3 1 0 2 38.51 3.44 2.3379 1 2 2 2 38.53 3.44 2.3365 -2 -3 2 2 38.84 4.10 2.3184 2 1 2 2 38.87 4.44 2.3169 -3 -2 2 2 39.03 1.38 2.3078 -2 -3 3 2 39.32 1.73 2.2912 -3 -2 3 2 39.39 1.10 2.2878 0 3 1 2 39.76 16.12 2.2670 1 -1 4 2 39.79 15.89 2.2652 -3 -1 4 2 39.91 1.80 2.2589 -1 3 1 2 40.25 1.97 2.2408 -1 2 3 2 40.97 2.32 2.2031 1 -3 3 2 41.07 44.33 2.1976 -2 1 4 2 41.07 44.05 2.1976 0 -3 4 2 41.53 1.48 2.1744 0 2 3 2 41.57 18.99 2.1723 0 1 4 2 41.61 19.35 2.1706 -2 -3 4 2 41.81 3.94 2.1606 1 0 4 2 41.85 4.30 2.1587 -3 -2 4 2 42.08 1.68 2.1473 2 0 3 2 42.26 25.23 2.1384 -2 3 0 2 42.65 3.85 2.1197 -3 2 0 2 42.66 2.37 2.1192 -2 2 3 2 43.12 2.50 2.0979 2 -2 3 2 43.77 34.40 2.0684 2 3 0 2 44.06 1.46 2.0552 -2 3 1 2 44.15 7.71 2.0515 3 2 0 2 44.69 2.94 2.0277 -1 3 2 2 45.58 2.74 1.9903 3 -1 2 2 46.09 11.58 1.9695 2 2 2 2 46.11 4.34 1.9684 -3 -3 2 2 47.06 1.15 1.9311 1 1 4 2 47.10 1.13 1.9294 -3 -3 4 2 47.34 2.14 1.9203 1 -4 1 2 47.65 1.95 1.9083 0 4 0 2 48.22 1.68 1.8874 -1 1 5 2 48.37 1.66 1.8818 3 -2 2 2 48.39 1.67 1.8811 -4 1 2 2 48.40 2.13 1.8808 -3 -3 1 2 48.50 1.07 1.8769 2 -3 3 2 48.53 1.05 1.8758 2 -1 4 2 48.56 1.04 1.8747 1 -1 5 2 48.57 1.17 1.8743 -4 -1 4 2 48.62 2.53 1.8727 -1 -2 6 2 48.62 2.81 1.8725 -2 -1 6 2 48.67 2.67 1.8708 -1 -1 6 2 48.69 7.72 1.8702 -2 -2 6 2 48.79 11.63 1.8667 4 0 0 2 48.83 2.82 1.8650 -1 4 0 2 48.86 2.24 1.8641 1 3 2 2 48.95 2.06 1.8606 2 3 1 2 49.34 1.58 1.8471 3 2 1 2 49.58 4.36 1.8386 -4 -2 2 2 49.74 2.16 1.8330 2 -2 4 2 49.78 2.40 1.8319 -4 0 4 2 49.80 1.55 1.8311 1 -4 3 2 49.86 1.38 1.8290 0 2 4 2 49.88 5.09 1.8284 -4 1 0 2 49.90 1.40 1.8277 -2 -4 4 2 50.40 5.32 1.8105 2 0 4 2 50.45 5.47 1.8089 -4 -2 4 2 50.76 2.78 1.7985 4 1 0 2 51.04 1.50 1.7895 -2 -4 1 2 51.61 1.15 1.7710 -2 0 6 2 51.76 1.10 1.7661 -1 0 6 2 51.79 1.13 1.7653 -2 -3 6 2 51.89 1.48 1.7620 0 -1 6 2 51.93 1.56 1.7609 -3 -2 6 2 53.11 3.64 1.7244 -2 4 0 2 53.56 1.03 1.7109 1 -4 4 2 53.60 13.36 1.7097 2 -4 2 2 53.61 6.96 1.7096 -3 3 2 2 53.75 2.02 1.7053 2 2 3 2 53.88 4.40 1.7015 2 -3 4 2 53.90 2.30 1.7010 -4 2 0 2 53.91 4.96 1.7008 -4 1 4 2 53.99 2.51 1.6984 3 -3 2 2 54.00 6.62 1.6980 -4 2 2 2 54.32 1.46 1.6887 -3 -4 3 2 54.46 1.53 1.6848 1 4 1 2 54.50 1.38 1.6836 0 -3 6 2 54.52 1.59 1.6832 -3 0 6 2 54.80 3.28 1.6751 2 4 0 2 55.13 6.05 1.6660 2 1 4 2 55.18 5.67 1.6646 -4 -3 4 2 55.37 1.79 1.6592 -2 4 1 2 55.52 1.68 1.6551 4 1 1 2 55.57 21.09 1.6537 4 2 0 2 56.66 2.12 1.6244 -2 -2 7 2 57.33 1.17 1.6071 -2 -1 7 2 57.54 2.09 1.6017 -1 1 6 2 57.66 1.99 1.5986 1 -2 6 2 57.70 2.04 1.5976 -4 -1 6 2 57.96 1.04 1.5911 -4 -2 6 2 58.15 11.57 1.5863 -1 3 4 2 58.18 11.85 1.5856 -1 -5 4 2 58.46 2.87 1.5787 -5 -1 2 2 59.12 1.03 1.5626 -1 -5 1 2 59.13 4.63 1.5624 3 -1 4 2 59.18 4.60 1.5612 -5 -1 4 2 59.19 2.56 1.5610 -2 3 4 2 59.21 2.69 1.5606 0 -5 4 2 59.48 1.05 1.5541 -2 -5 3 2 59.97 1.13 1.5425 0 3 4 2 60.01 1.03 1.5416 -2 -5 4 2 60.15 1.27 1.5384 1 -3 6 2 60.26 1.21 1.5358 4 -2 2 2 60.33 1.96 1.5343 1 -5 3 2 60.45 2.83 1.5314 -4 3 0 2 60.47 1.93 1.5310 -5 -1 1 2 60.49 2.17 1.5305 -5 -2 3 2 60.49 1.96 1.5304 1 4 2 2 60.52 1.85 1.5299 -2 -5 2 2 60.54 25.64 1.5295 2 -4 4 2 60.55 26.39 1.5291 -4 2 4 2 60.87 2.93 1.5219 1 0 6 2 60.88 1.24 1.5217 -5 1 1 2 60.93 3.00 1.5205 -4 -3 6 2 61.57 2.39 1.5063 -1 5 0 2 62.27 16.81 1.4910 2 2 4 2 62.32 16.71 1.4899 -4 -4 4 2 62.36 1.27 1.4889 3 4 0 2 63.69 7.46 1.4612 3 -3 4 2 63.72 7.19 1.4605 -5 1 4 2 65.15 3.30 1.4319 4 0 3 2 65.19 1.82 1.4311 -2 5 0 2 65.19 1.43 1.4311 3 1 4 2 65.25 1.48 1.4300 -5 -3 4 2 65.46 41.44 1.4257 -2 -2 8 2 65.93 1.13 1.4168 -4 -3 7 2 65.98 1.31 1.4158 -5 -1 6 2 66.40 2.54 1.4079 -5 2 0 2 67.06 1.76 1.3957 2 5 0 2 67.06 1.06 1.3956 0 -4 7 2 67.85 1.20 1.3813 1 -1 7 2 68.14 1.87 1.3761 -1 -1 8 2 68.18 1.66 1.3755 -3 -3 8 2 68.25 5.77 1.3741 5 2 0 2 68.56 1.19 1.3687 -3 4 3 2 69.10 1.92 1.3594 2 0 6 2 69.12 7.51 1.3589 -4 4 0 2 69.68 1.36 1.3494 3 0 5 2 69.82 2.07 1.3471 0 -6 2 2 70.30 2.56 1.3391 0 5 2 2 70.32 2.68 1.3387 -1 -6 2 2 70.72 2.45 1.3321 -2 4 4 2 70.74 2.33 1.3318 0 -6 4 2 70.94 1.14 1.3285 -6 -1 3 2 71.31 1.27 1.3226 -3 5 0 2 71.45 3.18 1.3203 2 3 4 2 71.51 2.98 1.3194 -4 -5 4 2 71.62 17.59 1.3177 0 4 4 2 71.62 1.58 1.3176 -3 0 8 2 71.62 1.71 1.3176 -1 -4 8 2 71.66 17.48 1.3170 -2 -6 4 2 71.77 2.28 1.3152 0 -3 8 2 71.80 2.21 1.3147 -4 -1 8 2 71.96 1.33 1.3123 -1 0 8 2 71.97 1.27 1.3121 5 0 2 2 72.00 1.17 1.3116 -6 -1 2 2 72.00 1.53 1.3115 -3 -4 8 2 72.02 1.18 1.3112 4 4 0 2 72.05 1.38 1.3108 4 -2 4 2 72.09 1.34 1.3101 -6 0 4 2 72.12 2.08 1.3097 0 -1 8 2 72.17 1.82 1.3088 -4 -3 8 2 72.48 1.33 1.3041 1 -5 6 2 72.49 3.11 1.3039 -4 2 6 2 72.80 1.73 1.2991 2 -4 6 2 72.93 2.79 1.2970 4 0 4 2 72.99 3.06 1.2961 -6 -2 4 2 73.43 2.29 1.2895 5 -2 2 2 73.46 2.19 1.2891 -6 1 2 2 73.68 1.10 1.2858 -6 1 3 2 73.99 2.87 1.2811 3 5 0 2 74.13 1.68 1.2791 -3 4 4 2 74.13 1.76 1.2790 1 -6 4 2 74.15 1.40 1.2788 -6 -2 5 2 74.60 3.73 1.2722 0 6 0 2 74.87 1.70 1.2683 5 3 0 2 75.26 4.08 1.2627 0 -4 8 2 75.26 8.51 1.2627 4 -3 4 2 75.27 4.14 1.2624 -4 0 8 2 75.30 8.27 1.2621 -6 1 4 2 75.87 3.76 1.2540 1 4 4 2 75.92 3.63 1.2533 -3 -6 4 2 75.94 2.10 1.2531 0 0 8 2 76.00 2.06 1.2521 -4 -4 8 2 76.49 1.00 1.2454 -3 5 2 2 76.56 6.28 1.2444 6 0 0 2 76.61 2.12 1.2437 3 -1 6 2 77.01 4.00 1.2383 4 1 4 2 77.07 4.00 1.2374 -6 -3 4 2 77.45 1.10 1.2324 -4 -5 7 2 78.09 1.97 1.2238 -1 1 8 2 78.15 2.16 1.2231 -3 -5 8 2 78.28 2.17 1.2213 6 1 0 2 78.88 1.01 1.2135 2 5 2 2 79.96 1.13 1.1998 2 -6 4 2 79.96 1.12 1.1998 -4 4 4 2 81.06 1.82 1.1863 0 -5 8 2 81.07 1.56 1.1862 -4 1 8 2 82.06 1.80 1.1743 0 1 8 2 82.14 1.68 1.1734 -4 -5 8 2 84.74 1.05 1.1439 0 6 2 2 86.96 1.29 1.1204 -2 4 6 2 87.01 1.17 1.1198 -3 5 4 2 87.02 1.22 1.1197 1 -7 4 2 88.52 1.27 1.1046 4 -2 6 2 88.60 1.23 1.1038 4 -5 4 2 88.63 1.31 1.1036 -6 3 4 2 88.74 2.38 1.1025 6 3 0 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.