Richterite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060471 Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D American Mineralogist 82 (1997) 291-301 Site occupancies in synthetic monoclinic amphiboles: Rietveld structure refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite Sample: Mg(100) CELL PARAMETERS: 9.8914 17.9630 5.2786 90.000 104.274 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Si 0.28080 0.08530 0.29770 1.000 0.500 Si 0.28470 0.16970 0.79730 1.000 0.500 Mg 0.00000 0.08920 0.50000 1.000 0.800 Mg 0.00000 0.17720 0.00000 1.000 0.800 Mg 0.00000 0.00000 0.00000 1.000 0.800 Ca 0.00000 0.27510 0.50000 0.525 1.300 Na 0.00000 0.27510 0.50000 0.475 1.500 Na 0.00000 0.47910 0.00000 0.950 1.500 O 0.11650 0.08700 0.22340 1.000 1.000 O 0.10790 0.16950 0.71690 1.000 1.000 O 0.10660 0.00000 0.71200 1.000 1.000 O 0.35380 0.24930 0.77960 1.000 1.000 O 0.34330 0.12960 0.08630 1.000 1.000 O 0.33890 0.11220 0.59660 1.000 1.000 O 0.33790 0.00000 0.30250 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 16 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 4.280541949 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.46 18.19 8.4571 1 1 0 17.46 1.30 5.0784 1 3 0 18.21 7.92 4.8715 -1 1 1 18.51 4.38 4.7930 2 0 0 19.77 27.67 4.4907 0 4 0 22.18 26.44 4.0080 1 1 1 23.01 21.84 3.8653 -1 3 1 24.22 1.79 3.6754 -2 2 1 26.29 96.92 3.3895 1 3 1 26.41 1.00 3.3749 0 4 1 27.21 76.97 3.2771 2 4 0 28.37 66.68 3.1460 3 1 0 29.50 14.20 3.0277 -3 1 1 30.21 73.43 2.9585 2 2 1 30.51 19.40 2.9296 -1 5 1 31.74 28.54 2.8190 3 3 0 32.77 45.93 2.7330 -3 3 1 33.11 100.00 2.7054 1 5 1 34.72 57.63 2.5839 0 6 1 35.08 9.00 2.5578 0 0 2 35.35 1.91 2.5392 2 6 0 35.47 90.21 2.5306 -2 0 2 37.43 2.67 2.4029 -2 6 1 37.53 2.79 2.3965 4 0 0 37.67 15.71 2.3876 3 5 0 38.56 28.48 2.3347 -3 5 1 38.68 32.43 2.3281 -4 2 1 39.37 30.33 2.2888 -1 7 1 39.65 15.25 2.2730 -3 1 2 39.72 3.98 2.2691 3 3 1 40.16 1.62 2.2454 0 8 0 40.59 2.41 2.2226 0 4 2 40.94 12.47 2.2046 -2 4 2 41.48 5.31 2.1770 1 7 1 41.73 47.11 2.1646 2 6 1 42.23 9.50 2.1401 -3 3 2 42.51 6.11 2.1267 -1 5 2 44.05 28.95 2.0559 2 0 2 44.75 8.63 2.0253 3 5 1 45.01 14.26 2.0141 -4 0 2 45.33 3.81 2.0008 3 7 0 46.09 1.90 1.9693 -3 7 1 46.47 7.59 1.9540 1 9 0 46.76 1.66 1.9428 4 2 1 47.04 7.42 1.9319 -3 5 2 47.71 19.37 1.9064 5 1 0 48.49 4.86 1.8775 -4 6 1 48.71 1.59 1.8693 2 4 2 49.06 12.54 1.8567 -1 9 1 49.55 1.63 1.8397 -1 7 2 49.61 6.24 1.8377 -4 4 2 49.95 3.47 1.8259 5 3 0 50.14 1.25 1.8193 4 4 1 50.83 3.94 1.7963 0 10 0 50.85 3.57 1.7955 1 9 1 51.21 2.40 1.7839 3 1 2 52.35 4.06 1.7475 -5 1 2 52.38 1.95 1.7468 -1 1 3 54.11 2.03 1.6948 0 10 1 54.37 2.44 1.6874 0 8 2 54.48 12.89 1.6843 -1 3 3 54.65 5.62 1.6795 -2 8 2 54.80 10.11 1.6753 0 2 3 54.86 2.78 1.6736 -3 9 1 55.45 36.27 1.6572 4 6 1 56.13 6.73 1.6385 4 8 0 57.23 11.88 1.6098 1 11 0 57.43 1.36 1.6045 5 3 1 57.45 1.44 1.6042 3 5 2 57.70 6.45 1.5977 6 0 0 58.53 23.68 1.5770 -1 5 3 58.95 6.58 1.5667 4 0 2 59.30 2.47 1.5584 2 10 1 59.31 2.46 1.5582 -5 7 1 60.26 15.79 1.5358 -6 0 2 61.11 5.65 1.5164 1 9 2 61.36 4.98 1.5109 5 5 1 61.41 28.92 1.5098 -2 6 3 61.89 4.62 1.4993 -4 8 2 62.00 15.36 1.4969 0 12 0 62.70 2.00 1.4817 0 6 3 62.82 7.69 1.4793 4 4 2 63.06 1.68 1.4741 2 2 3 63.51 1.29 1.4648 -2 10 2 64.03 6.34 1.4541 3 11 0 64.08 3.67 1.4532 -6 4 2 64.30 4.38 1.4487 -1 7 3 64.64 2.46 1.4419 -3 11 1 64.66 39.96 1.4416 -6 6 1 64.72 1.89 1.4403 -4 10 1 65.30 1.23 1.4289 2 12 0 65.55 3.15 1.4242 -5 3 3 66.27 2.72 1.4104 6 2 1 66.73 1.11 1.4018 -4 6 3 68.18 12.79 1.3755 5 1 2 68.21 1.24 1.3750 -7 3 1 68.75 2.34 1.3655 7 1 0 68.78 1.29 1.3649 1 7 3 69.20 4.70 1.3576 -5 5 3 69.63 1.08 1.3504 -7 1 2 69.99 6.09 1.3443 5 3 2 70.38 7.45 1.3377 1 11 2 70.42 8.27 1.3371 2 6 3 70.55 1.78 1.3350 7 3 0 70.67 1.37 1.3330 -1 13 1 70.86 4.34 1.3298 -3 11 2 70.98 1.78 1.3280 -6 2 3 71.57 3.23 1.3183 -5 9 2 71.59 2.72 1.3180 -1 9 3 71.80 9.01 1.3147 -7 5 1 72.27 6.64 1.3073 -1 1 4 72.63 3.31 1.3018 6 8 0 72.75 2.34 1.2999 -3 1 4 73.27 8.35 1.2919 0 12 2 73.47 2.70 1.2890 6 6 1 73.50 1.92 1.2884 -3 9 3 73.51 18.77 1.2884 -2 12 2 73.54 1.90 1.2878 5 5 2 74.04 3.04 1.2804 -1 3 4 74.14 5.71 1.2789 0 0 4 74.78 1.46 1.2696 4 12 0 75.04 1.31 1.2659 -2 4 4 75.07 7.48 1.2653 -4 0 4 76.93 3.01 1.2393 4 2 3 77.06 1.31 1.2376 -7 7 1 77.12 1.33 1.2367 0 10 3 77.52 1.56 1.2314 -1 5 4 77.92 1.74 1.2260 6 0 2 78.02 1.02 1.2248 -8 2 1 78.07 1.15 1.2241 -1 13 2 78.19 2.12 1.2225 -2 14 1 78.92 1.23 1.2131 -6 10 1 80.09 2.66 1.1983 8 0 0 80.29 9.08 1.1958 -5 11 2 82.66 1.19 1.1673 -6 10 2 82.77 5.63 1.1661 2 0 4 82.95 3.25 1.1640 -8 4 2 83.79 1.78 1.1545 4 6 3 84.21 1.38 1.1498 1 15 1 84.30 2.07 1.1488 2 10 3 85.58 1.11 1.1348 5 9 2 86.11 3.02 1.1292 7 9 0 86.82 1.11 1.1218 5 3 3 86.90 1.44 1.1210 5 13 0 87.96 3.29 1.1101 -6 4 4 88.40 1.89 1.1058 -7 7 3 89.34 1.09 1.0966 0 16 1 89.44 1.58 1.0956 3 1 4 89.56 1.15 1.0944 3 13 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.