Laihunite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110051 Shen B, Tamada O, Kitamura M, Morimoto N American Mineralogist 71 (1986) 1455-1460 Superstructure of laihunite-3M (_.40Fe.80Fe.80SiO4) Sample: Superstructure Fe1B-y coordinate changed by Tamada (Aug, 2001) _database_code_amcsd 0001057 CELL PARAMETERS: 4.8110 10.2420 17.5220 90.000 90.010 90.000 SPACE GROUP: P2_1/b ATOM X Y Z OCCUPANCY ISO(B) Fe 0.00000 0.00000 0.00000 1.000 0.630 Fe 0.00080 -0.00890 0.32780 0.907 0.650 Fe 0.00880 0.26600 0.24880 1.000 0.370 Fe -0.00450 0.27880 0.58230 1.000 0.530 Fe 0.01020 0.27700 0.91090 1.000 0.730 Si 0.05970 0.40080 0.08370 1.000 0.630 Si 0.05940 0.40000 0.41740 1.000 0.420 Si 0.05930 0.41180 0.74830 1.000 0.400 O 0.32300 0.05010 0.08510 1.000 1.060 O 0.32600 0.05080 0.41810 1.000 0.890 O 0.32800 0.06030 0.75060 1.000 0.460 O 0.22700 0.09930 0.25450 1.000 0.380 O 0.22300 0.10650 0.58570 1.000 0.980 O 0.22700 0.10790 0.91930 1.000 0.760 O 0.69900 0.17380 0.18150 1.000 0.710 O 0.70100 0.17520 0.51160 1.000 0.780 O 0.69900 0.18200 0.84480 1.000 0.610 O 0.22500 0.33130 0.00940 1.000 0.580 O 0.22000 0.32360 0.34290 1.000 0.720 O 0.22200 0.33290 0.67850 1.000 0.660 Fe 0.50000 0.50000 0.50000 0.666 1.400 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 9 +/- 16 MAX. ABS. INTENSITY / VOLUME**2: 16.41641324 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 5.04 14.87 17.5220 0 0 1 10.10 2.74 8.7610 0 0 2 15.17 15.92 5.8407 0 0 3 17.32 5.85 5.1210 0 2 0 20.08 1.53 4.4211 0 -2 2 20.27 1.68 4.3805 0 0 4 20.39 2.23 4.3545 1 1 0 22.80 1.26 3.8997 1 -1 2 23.10 35.05 3.8505 0 2 3 23.96 3.05 3.7138 -1 0 3 23.97 3.05 3.7131 1 0 3 25.40 3.39 3.5064 1 2 0 25.42 1.27 3.5044 0 0 5 25.51 6.24 3.4913 -1 -1 3 25.51 56.57 3.4913 -1 1 3 25.52 6.24 3.4908 1 -1 3 25.52 56.55 3.4908 1 1 3 26.78 1.09 3.3288 0 -2 4 26.78 2.14 3.3288 0 2 4 28.91 2.10 3.0885 1 -1 4 28.91 1.93 3.0885 1 1 4 29.72 1.49 3.0064 1 -2 3 29.72 1.14 3.0064 1 2 3 30.61 24.14 2.9203 0 0 6 32.15 61.36 2.7842 1 3 0 32.56 1.33 2.7498 1 -3 1 32.80 1.63 2.7303 1 1 5 33.78 2.33 2.6535 1 -3 2 35.05 7.69 2.5605 0 4 0 35.38 8.59 2.5368 0 -2 6 35.38 11.46 2.5368 0 2 6 35.72 73.55 2.5134 1 -3 3 35.72 26.45 2.5134 1 3 3 37.06 43.42 2.4256 1 -1 6 37.06 32.29 2.4256 1 1 6 37.38 15.28 2.4055 2 0 0 38.38 1.94 2.3451 0 -4 3 38.38 10.69 2.3451 0 4 3 38.44 5.47 2.3418 2 1 0 39.88 13.60 2.2603 1 4 0 40.18 8.96 2.2441 1 -2 6 40.18 9.26 2.2441 1 2 6 40.56 1.57 2.2244 2 0 3 41.54 8.06 2.1737 2 1 3 41.54 5.26 2.1737 2 -1 3 44.40 6.27 2.0402 2 -2 3 44.98 1.34 2.0152 1 3 6 46.65 1.72 1.9469 0 0 9 49.06 7.92 1.8569 2 0 6 50.91 15.49 1.7936 1 5 3 50.91 1.43 1.7936 1 -5 3 51.41 14.46 1.7774 1 -1 9 51.41 2.86 1.7774 1 1 9 52.17 20.62 1.7532 2 4 0 52.41 30.78 1.7457 2 2 6 52.41 31.22 1.7457 2 -2 6 52.88 1.23 1.7313 1 5 4 53.86 1.64 1.7022 1 2 9 54.66 13.73 1.6792 2 4 3 54.66 2.38 1.6792 2 -4 3 56.14 11.66 1.6385 0 -6 3 56.14 3.67 1.6385 0 6 3 57.78 17.91 1.5956 1 3 9 57.78 4.61 1.5956 1 -3 9 58.23 1.83 1.5844 3 1 0 58.26 2.53 1.5836 1 5 6 58.26 4.56 1.5836 1 -5 6 59.66 7.27 1.5498 0 -4 9 59.66 1.09 1.5498 0 4 9 59.80 1.36 1.5465 3 0 3 60.55 1.16 1.5292 3 -1 3 60.55 7.29 1.5292 3 1 3 61.24 1.32 1.5135 2 0 9 61.54 1.16 1.5068 2 5 3 61.98 1.24 1.4972 2 -1 9 63.08 12.61 1.4737 0 -6 6 63.08 13.23 1.4737 0 6 6 63.74 18.85 1.4602 0 0 12 64.16 3.95 1.4515 3 3 0 66.36 13.79 1.4087 3 -3 3 66.36 4.24 1.4087 3 3 3 66.83 11.50 1.3998 1 7 0 67.22 4.29 1.3927 3 -1 6 67.22 2.24 1.3927 3 1 6 67.25 1.27 1.3921 2 6 0 69.11 1.78 1.3591 3 4 0 69.32 3.00 1.3556 3 -2 6 69.32 2.98 1.3556 3 2 6 69.40 3.97 1.3542 2 -6 3 69.40 3.48 1.3542 1 -5 9 71.23 1.37 1.3238 3 4 3 72.56 3.75 1.3029 2 -4 9 73.19 2.31 1.2932 1 3 12 73.19 4.79 1.2932 1 -3 12 73.83 1.62 1.2835 0 -6 9 73.83 4.11 1.2835 0 6 9 75.28 1.13 1.2623 1 -7 6 75.68 2.07 1.2567 2 -6 6 75.68 3.01 1.2567 2 6 6 76.28 4.65 1.2483 2 0 12 77.04 1.35 1.2379 3 0 9 77.31 1.52 1.2342 3 5 3 77.70 2.03 1.2290 3 -1 9 79.73 4.17 1.2027 4 0 0 82.97 1.47 1.1638 3 -3 9 82.97 6.29 1.1638 3 3 9 83.38 2.07 1.1591 3 5 6 83.38 2.54 1.1591 3 -5 6 85.21 1.13 1.1389 0 2 15 85.80 1.16 1.1325 2 6 9 86.02 2.55 1.1302 2 8 0 86.20 1.79 1.1283 1 1 15 86.80 2.28 1.1221 2 -4 12 86.80 3.24 1.1221 2 4 12 88.02 1.58 1.1096 2 8 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.