Narsarsukite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060203 Peacor D R, Buerger M J American Mineralogist 47 (1962) 539-556 The determination and refinement of the structure of narsarsukite, Na2TiOSi4O10 CELL PARAMETERS: 10.7123 10.7123 7.9419 90.000 90.000 90.000 SPACE GROUP: I4/m ATOM X Y Z OCCUPANCY ISO(B) Ti 0.00000 0.00000 0.23960 1.000 0.130 Na 0.18580 0.13780 0.50000 1.000 1.380 Si 0.01180 0.30850 0.19240 1.000 -0.090 O 0.00000 0.00000 0.00000 1.000 0.050 O 0.00000 0.00000 0.50000 1.000 0.200 O -0.04000 0.30240 0.00000 1.000 0.170 O 0.04880 0.17540 0.26840 1.000 0.370 O 0.13240 0.40230 0.19380 1.000 0.320 X-RAY WAVELENGTHS: 1.540562 1.544390 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 9 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 7.741777535 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.67 / 11.70 7.57 / 3.79 7.5747 1 1 0 16.54 / 16.58 97.03 / 48.52 5.3562 2 0 0 21.65 / 21.70 23.33 / 11.67 4.1021 2 1 1 22.37 / 22.43 93.00 / 46.50 3.9709 0 0 2 23.47 / 23.53 38.75 / 19.38 3.7874 2 2 0 26.29 / 26.35 36.75 / 18.37 3.3875 1 3 0 26.29 / 26.35 43.25 / 21.62 3.3875 3 1 0 27.36 / 27.43 100.00 / 50.00 3.2567 3 0 1 27.95 / 28.02 44.74 / 22.37 3.1899 2 0 2 32.65 / 32.73 12.75 / 6.38 2.7407 2 2 2 33.43 / 33.52 8.45 / 4.23 2.6781 4 0 0 34.78 / 34.87 67.38 / 33.69 2.5772 1 3 2 34.88 / 34.97 5.64 / 2.82 2.5700 1 0 3 35.53 / 35.62 60.68 / 30.34 2.5249 3 3 0 36.35 / 36.45 1.31 / 0.65 2.4693 1 4 1 37.52 / 37.61 7.75 / 3.87 2.3953 2 4 0 37.52 / 37.61 1.59 / 0.79 2.3953 4 2 0 38.83 / 38.93 18.37 / 9.19 2.3171 2 1 3 40.60 / 40.70 5.93 / 2.96 2.2203 4 0 2 42.47 / 42.58 1.99 / 1.00 2.1266 3 0 3 43.02 / 43.13 6.42 / 3.21 2.1009 1 5 0 43.73 / 43.84 4.02 / 2.01 2.0685 3 4 1 44.12 / 44.23 11.64 / 5.82 2.0511 4 2 2 45.66 / 45.77 23.31 / 11.65 1.9855 0 0 4 45.87 / 45.99 22.65 / 11.33 1.9765 3 2 3 45.87 / 45.99 2.45 / 1.22 1.9765 2 3 3 47.05 / 47.18 5.97 / 2.98 1.9296 5 2 1 47.05 / 47.18 5.14 / 2.57 1.9296 2 5 1 47.29 / 47.41 10.19 / 5.10 1.9206 1 1 4 48.00 / 48.13 12.06 / 6.03 1.8937 4 4 0 48.88 / 49.01 4.28 / 2.14 1.8617 2 0 4 49.01 / 49.14 6.39 / 3.20 1.8570 1 5 2 49.58 / 49.71 1.80 / 0.90 1.8371 5 3 0 51.12 / 51.25 24.12 / 12.06 1.7854 6 0 0 53.23 / 53.38 1.67 / 0.83 1.7193 6 1 1 53.23 / 53.38 4.32 / 2.16 1.7193 1 6 1 53.45 / 53.59 2.58 / 1.29 1.7129 3 1 4 53.45 / 53.59 1.07 / 0.53 1.7129 1 3 4 53.57 / 53.71 4.61 / 2.31 1.7093 4 4 2 54.10 / 54.25 9.94 / 4.97 1.6938 2 6 0 55.03 / 55.18 1.83 / 0.92 1.6673 5 3 2 55.10 / 55.25 1.30 / 0.65 1.6654 3 4 3 55.10 / 55.25 1.19 / 0.60 1.6654 5 0 3 55.10 / 55.25 19.20 / 9.60 1.6654 4 3 3 56.46 / 56.62 5.20 / 2.60 1.6284 6 0 2 57.76 / 57.91 2.33 / 1.16 1.5950 4 0 4 57.94 / 58.10 5.70 / 2.85 1.5903 2 5 3 57.94 / 58.10 3.86 / 1.93 1.5903 5 2 3 58.95 / 59.11 5.20 / 2.60 1.5656 6 3 1 58.95 / 59.11 2.37 / 1.18 1.5656 3 6 1 59.15 / 59.31 7.21 / 3.61 1.5607 3 3 4 59.26 / 59.42 2.01 / 1.00 1.5580 2 6 2 59.26 / 59.42 4.85 / 2.42 1.5580 6 2 2 60.52 / 60.68 5.59 / 2.80 1.5286 2 4 4 61.12 / 61.29 6.45 / 3.23 1.5149 1 7 0 61.12 / 61.29 3.70 / 1.85 1.5149 5 5 0 61.45 / 61.62 5.10 / 2.55 1.5077 2 1 5 61.67 / 61.84 1.22 / 0.61 1.5027 7 0 1 62.47 / 62.64 6.57 / 3.29 1.4855 6 4 0 62.47 / 62.64 3.25 / 1.62 1.4855 4 6 0 63.38 / 63.56 1.43 / 0.71 1.4663 1 6 3 64.11 / 64.29 20.15 / 10.08 1.4513 3 0 5 64.53 / 64.71 1.00 / 0.50 1.4430 5 1 4 64.53 / 64.71 5.09 / 2.54 1.4430 1 5 4 65.94 / 66.12 1.27 / 0.63 1.4154 1 7 2 65.94 / 66.12 1.37 / 0.68 1.4154 5 5 2 66.00 / 66.19 5.76 / 2.88 1.4142 5 4 3 66.41 / 66.59 8.41 / 4.20 1.4066 7 3 0 66.41 / 66.59 4.29 / 2.14 1.4066 3 7 0 66.72 / 66.91 1.95 / 0.97 1.4008 3 2 5 67.23 / 67.42 13.61 / 6.81 1.3914 4 6 2 68.40 / 68.60 2.30 / 1.15 1.3703 4 4 4 68.57 / 68.77 1.05 / 0.53 1.3674 3 6 3 68.57 / 68.77 4.42 / 2.21 1.3674 6 3 3 69.67 / 69.87 1.13 / 0.57 1.3485 5 3 4 69.67 / 69.87 1.12 / 0.56 1.3485 3 5 4 70.93 / 71.13 5.88 / 2.94 1.3276 6 0 4 71.04 / 71.24 14.35 / 7.17 1.3259 7 3 2 71.04 / 71.24 1.37 / 0.68 1.3259 3 7 2 71.10 / 71.30 7.22 / 3.61 1.3249 7 0 3 71.17 / 71.38 1.02 / 0.51 1.3237 0 0 6 72.42 / 72.63 3.11 / 1.55 1.3039 1 1 6 72.73 / 72.94 2.24 / 1.12 1.2991 2 8 0 73.42 / 73.63 5.46 / 2.73 1.2886 2 6 4 74.27 / 74.48 2.65 / 1.32 1.2760 3 4 5 74.27 / 74.48 2.42 / 1.21 1.2760 4 3 5 75.20 / 75.42 2.63 / 1.31 1.2625 6 6 0 76.12 / 76.34 2.29 / 1.15 1.2495 2 2 6 76.42 / 76.65 5.03 / 2.52 1.2453 7 5 0 76.72 / 76.94 4.27 / 2.13 1.2412 5 2 5 76.72 / 76.94 5.77 / 2.88 1.2412 2 5 5 77.20 / 77.43 1.86 / 0.93 1.2347 2 8 2 79.52 / 79.76 2.65 / 1.33 1.2044 1 7 4 80.72 / 80.96 4.73 / 2.37 1.1895 6 4 4 80.82 / 81.06 1.38 / 0.69 1.1882 5 7 2 80.82 / 81.06 1.15 / 0.58 1.1882 7 5 2 80.88 / 81.12 1.99 / 1.00 1.1875 8 1 3 82.15 / 82.40 2.65 / 1.32 1.1723 3 3 6 83.35 / 83.60 1.25 / 0.63 1.1585 2 4 6 83.93 / 84.19 2.31 / 1.16 1.1519 5 4 5 84.31 / 84.57 1.39 / 0.69 1.1478 3 7 4 84.31 / 84.57 1.61 / 0.80 1.1478 7 3 4 85.60 / 85.86 3.38 / 1.69 1.1337 9 1 2 85.60 / 85.86 2.22 / 1.11 1.1337 1 9 2 86.03 / 86.29 3.70 / 1.85 1.1292 3 9 0 86.03 / 86.29 1.54 / 0.77 1.1292 9 3 0 86.31 / 86.58 6.60 / 3.30 1.1262 6 3 5 86.31 / 86.58 2.99 / 1.50 1.1262 3 6 5 86.91 / 87.18 2.47 / 1.23 1.1199 1 5 6 86.91 / 87.18 1.17 / 0.58 1.1199 5 1 6 88.69 / 88.96 4.47 / 2.24 1.1021 7 0 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.