Fetiasite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100014 Graeser S, Schwander H, Demartin F, Gramaccioli C M, Pilati T, Reusser E American Mineralogist 79 (1994) 996-1002 Fetiasite (Fe2+,Fe3+,Ti)3O2[As2O5], a new arsenite mineral: Its description and structure determination Note: Sample B Locality: Legenbach quarry, Binnatal, Switzerland CELL PARAMETERS: 10.6110 3.2470 8.9560 90.000 109.090 90.000 SPACE GROUP: P2_1/m ATOM X Y Z OCCUPANCY ISO(B) As 0.41010 0.25000 0.66453 1.000 0.792 As 0.24954 0.25000 0.24816 1.000 0.832 Fe 0.04912 0.25000 0.86648 1.000 0.904 Fe 0.64280 0.25000 0.02237 1.000 0.720 Fe 0.88267 0.25000 0.39356 0.380 1.256 Ti 0.88267 0.25000 0.39356 0.580 1.256 O 0.08160 0.25000 0.11590 1.000 1.411 O 0.32870 0.25000 0.10360 1.000 1.483 O 0.83240 0.25000 0.15860 1.000 1.023 O 0.99280 0.25000 0.61920 1.000 1.681 O 0.43350 0.25000 0.87220 1.000 1.208 O 0.23470 0.25000 0.59900 1.000 2.698 O 0.72750 0.25000 0.67630 0.500 1.330 O 0.55180 0.25000 0.38340 0.500 1.953 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 2 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 37.49342290 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.45 10.95 8.4635 0 0 1 11.26 1.36 7.8571 -1 0 1 19.93 5.93 4.4556 -1 0 2 20.99 5.17 4.2317 0 0 2 25.24 18.46 3.5279 -3 0 1 25.38 4.28 3.5093 1 0 2 26.67 6.26 3.3425 3 0 0 28.09 8.25 3.1765 -3 0 2 28.90 10.66 3.0891 1 1 0 29.77 5.84 3.0009 -1 1 1 29.97 60.30 2.9818 -1 0 3 30.87 1.50 2.8966 -2 0 3 31.72 5.07 2.8212 0 0 3 31.82 4.62 2.8121 2 0 2 31.84 61.97 2.8106 3 0 1 32.68 100.00 2.7402 -2 1 1 32.86 2.49 2.7254 2 1 0 34.24 1.68 2.6190 -3 0 3 34.83 1.73 2.5761 0 1 2 35.14 17.65 2.5540 -4 0 2 35.88 18.43 2.5028 -2 1 2 37.65 7.39 2.3891 -3 1 1 37.75 48.58 2.3833 1 1 2 39.52 3.59 2.2805 -4 0 3 39.69 1.64 2.2706 -3 1 2 40.60 3.24 2.2223 -1 0 4 40.75 1.78 2.2145 4 0 1 41.79 4.47 2.1615 -2 1 3 42.45 1.28 2.1296 0 1 3 42.74 3.15 2.1159 0 0 4 43.14 1.44 2.0970 -5 0 2 45.68 1.35 1.9859 1 1 3 46.22 3.50 1.9643 -4 0 4 46.68 1.26 1.9457 1 0 4 49.63 5.96 1.8370 -2 1 4 49.84 4.01 1.8295 4 1 1 51.30 15.67 1.7811 -3 1 4 51.62 10.73 1.7708 -5 1 1 51.75 2.95 1.7666 -1 0 5 51.91 5.98 1.7616 -5 1 2 52.13 13.00 1.7546 2 0 4 53.72 18.51 1.7063 5 1 0 54.56 1.72 1.6819 -5 1 3 54.60 1.26 1.6808 -4 0 5 54.61 2.04 1.6807 -4 1 4 54.94 2.86 1.6712 6 0 0 56.52 1.16 1.6281 4 0 3 56.70 19.36 1.6235 0 2 0 58.76 2.19 1.5714 -5 0 5 59.77 12.13 1.5472 -3 1 5 59.81 1.14 1.5463 6 0 1 59.92 1.44 1.5437 2 1 4 60.00 1.26 1.5419 -6 1 1 61.14 4.80 1.5157 -7 0 2 61.49 3.16 1.5079 -6 1 3 61.81 8.65 1.5010 0 1 5 62.08 2.58 1.4952 -7 0 1 62.19 1.02 1.4926 -4 1 5 62.27 1.91 1.4909 -2 0 6 62.37 1.69 1.4889 -7 0 3 63.03 2.40 1.4748 -3 2 1 63.53 1.64 1.4645 -1 0 6 63.97 15.56 1.4554 4 1 3 64.32 1.28 1.4483 -4 0 6 64.45 1.23 1.4456 -3 2 2 65.31 1.85 1.4287 5 0 3 65.41 6.88 1.4267 -6 1 4 65.46 9.92 1.4259 -1 2 3 65.49 3.12 1.4252 1 1 5 66.08 1.73 1.4139 3 1 4 66.44 1.05 1.4071 0 2 3 66.50 1.02 1.4060 2 2 2 66.51 11.40 1.4058 3 2 1 66.54 3.51 1.4053 6 0 2 67.55 3.26 1.3868 -5 0 6 68.48 4.37 1.3701 -4 2 2 69.61 2.95 1.3506 -3 1 6 71.24 1.73 1.3238 -6 1 5 71.31 1.41 1.3226 -4 2 3 73.15 1.13 1.2938 0 1 6 74.46 1.18 1.2742 -2 0 7 76.06 1.42 1.2514 -4 2 4 78.39 1.32 1.2199 -8 1 3 78.75 2.52 1.2152 -8 0 5 79.20 1.22 1.2094 -8 1 1 80.32 1.28 1.1954 -1 2 5 80.62 5.66 1.1917 2 2 4 82.49 1.20 1.1693 8 1 0 82.91 1.44 1.1645 6 2 0 83.49 1.32 1.1579 7 1 2 83.63 1.07 1.1563 1 0 7 86.12 1.14 1.1291 -5 2 5 86.53 1.24 1.1249 5 0 5 87.66 1.06 1.1132 8 1 1 88.09 1.71 1.1089 -6 1 7 88.18 1.34 1.1079 -7 -2 2 88.94 2.57 1.1005 3 1 6 89.18 1.23 1.0981 -2 2 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.