Scandium-fluor-eckermannite Raudsepp M, Turnock A C, Hawthorne F C American Mineralogist 72 (1987) 959-964 Characterization of cation ordering in synthetic scandium-fluor-eckermannite, indium-fluor-eckermannite, and scandium-fluor-nyboite by Rietveld structure refinement Sample: FScEC-A3 _database_code_amcsd 0001115 CELL PARAMETERS: 9.8384 18.0634 5.2926 90.000 103.650 90.000 SPACE GROUP: C2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 914.008 Density (g/cm3): 2.993 MAX. ABS. INTENSITY / VOLUME**2: 5.316500559 RIR: 0.578 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.79 1.67 9.0317 0 2 0 2 10.47 52.42 8.4499 1 1 0 4 17.24 1.27 5.1431 0 0 1 2 18.23 15.27 4.8673 -1 1 1 4 18.56 4.39 4.7803 2 0 0 2 19.66 34.44 4.5159 0 4 0 2 19.87 6.97 4.4693 0 2 1 4 22.03 7.60 4.0354 1 1 1 4 22.97 21.69 3.8712 -1 3 1 4 24.32 5.76 3.6606 -2 2 1 4 26.12 77.67 3.4114 1 3 1 4 26.37 1.73 3.3795 1 5 0 4 27.16 45.16 3.2827 2 4 0 4 28.44 71.75 3.1384 3 1 0 4 29.70 6.13 3.0078 -3 1 1 4 30.04 34.35 2.9745 2 2 1 4 30.41 12.19 2.9391 -1 5 1 4 31.77 22.05 2.8166 3 3 0 4 32.90 100.00 2.7220 1 5 1 4 32.92 31.49 2.7211 -3 3 1 4 34.52 32.75 2.5982 0 6 1 4 34.89 11.05 2.5716 0 0 2 2 35.23 1.28 2.5475 2 6 0 4 35.52 69.39 2.5271 -2 0 2 2 36.05 1.01 2.4913 1 7 0 4 36.86 1.01 2.4388 3 1 1 4 37.37 1.19 2.4063 -2 6 1 4 37.64 5.84 2.3899 3 5 0 4 38.63 25.00 2.3307 -3 5 1 4 38.92 13.85 2.3142 -4 2 1 4 39.20 25.97 2.2983 -1 7 1 4 39.56 1.21 2.2783 3 3 1 4 39.82 18.97 2.2636 -3 1 2 4 40.92 6.35 2.2053 -2 4 2 4 41.22 9.49 2.1899 1 7 1 4 41.49 35.78 2.1765 2 6 1 4 42.35 1.36 2.1340 -1 5 2 4 42.36 7.40 2.1336 -3 3 2 4 43.73 16.70 2.0700 2 0 2 2 44.54 10.69 2.0341 3 5 1 4 45.21 1.35 2.0055 3 7 0 4 45.29 8.60 2.0021 -4 0 2 2 46.07 1.51 1.9701 -3 7 1 4 46.10 2.18 1.9688 1 5 2 4 46.22 5.72 1.9642 1 9 0 4 46.62 3.86 1.9481 4 2 1 4 47.11 3.64 1.9291 -3 5 2 4 47.84 9.03 1.9015 5 1 0 4 48.37 5.02 1.8817 2 4 2 4 48.59 2.23 1.8739 -4 6 1 4 48.82 7.72 1.8654 -1 9 1 4 49.82 5.51 1.8303 -4 4 2 4 50.05 2.44 1.8224 5 3 0 4 50.53 3.59 1.8063 0 10 0 2 50.54 3.55 1.8060 1 9 1 4 52.70 1.51 1.7367 1 7 2 4 52.73 6.77 1.7360 -5 1 2 4 53.42 1.02 1.7151 -5 5 1 4 54.27 7.96 1.6904 -1 3 3 4 54.29 1.76 1.6897 2 10 0 4 54.48 4.22 1.6843 0 2 3 4 54.50 7.44 1.6837 -2 8 2 4 54.72 1.35 1.6775 -3 1 3 4 54.75 2.18 1.6767 -3 9 1 4 55.23 31.70 1.6630 4 6 1 4 56.03 10.59 1.6413 4 8 0 4 56.89 9.72 1.6184 1 11 0 4 57.87 4.07 1.5934 6 0 0 2 58.28 24.53 1.5831 -1 5 3 4 58.61 4.51 1.5751 4 0 2 2 58.94 2.94 1.5670 2 10 1 4 60.70 4.80 1.5257 1 9 2 4 60.72 10.41 1.5252 -6 0 2 2 61.19 5.35 1.5146 5 5 1 4 61.26 20.05 1.5132 -2 6 3 4 61.61 13.71 1.5053 0 12 0 2 61.95 2.31 1.4980 -4 8 2 4 62.33 1.97 1.4898 0 6 3 4 62.44 3.83 1.4873 4 4 2 4 62.58 3.44 1.4844 2 2 3 4 63.28 1.30 1.4695 -2 10 2 4 63.76 4.09 1.4597 3 11 0 4 64.00 5.18 1.4547 -1 7 3 4 64.49 3.80 1.4450 -6 4 2 4 64.64 2.57 1.4420 -4 10 1 4 64.90 34.39 1.4368 -6 6 1 4 65.87 2.23 1.4180 -5 3 3 4 67.83 15.09 1.3817 5 1 2 4 68.95 3.04 1.3619 7 1 0 4 69.48 4.06 1.3528 -5 5 3 4 69.62 3.97 1.3505 5 3 2 4 69.88 4.95 1.3460 2 6 3 4 69.90 5.83 1.3457 1 11 2 4 70.18 1.18 1.3411 -7 1 2 4 70.68 2.62 1.3328 -3 11 2 4 70.73 1.23 1.3320 7 3 0 4 71.23 1.78 1.3238 -1 9 3 4 71.32 1.84 1.3224 -2 0 4 2 71.69 2.79 1.3165 -5 9 2 4 71.94 6.74 1.3125 -1 1 4 4 72.14 6.87 1.3093 -7 5 1 4 72.80 7.59 1.2991 0 12 2 4 73.18 18.50 1.2932 -2 12 2 4 73.30 4.12 1.2914 6 6 1 4 73.37 1.25 1.2904 -3 9 3 4 73.68 4.42 1.2858 0 0 4 2 73.69 1.97 1.2856 -1 3 4 4 74.49 1.26 1.2737 4 12 0 4 75.20 5.55 1.2636 -4 0 4 2 76.63 1.22 1.2435 0 10 3 4 77.34 1.16 1.2338 -7 7 1 4 77.62 1.15 1.2301 -1 13 2 4 77.77 1.65 1.2281 -2 14 1 4 78.63 1.27 1.2168 -4 4 4 4 80.30 7.79 1.1956 -5 11 2 4 80.34 2.17 1.1951 8 0 0 2 82.08 3.91 1.1741 2 0 4 2 82.84 1.19 1.1653 -6 10 2 4 83.14 2.48 1.1618 4 6 3 4 83.56 1.15 1.1571 -8 4 2 4 83.63 1.21 1.1563 1 15 1 4 83.64 1.06 1.1562 2 10 3 4 86.12 3.12 1.1291 7 9 0 4 86.60 2.10 1.1240 5 13 0 4 88.37 1.50 1.1061 -6 4 4 4 88.66 2.52 1.1032 3 1 4 4 88.71 1.25 1.1027 0 16 1 4 88.88 1.43 1.1010 -7 7 3 4 88.91 1.20 1.1008 3 13 2 4 89.53 1.52 1.0948 5 5 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.