Lovozerite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080107 Ilyukhin V V, Belov N V Soviet Physics Crystallography 5 (1960) 186-198 Derivation of the structure of lovozerite from sections of the three-dimensional Patterson function CELL PARAMETERS: 10.4450 10.1210 7.2700 90.000 92.680 90.000 SPACE GROUP: C2 ATOM X Y Z OCCUPANCY ISO(B) Zr 0.00000 0.00000 0.00000 1.000 1.750 Si 0.21100 0.49500 0.26500 1.000 1.750 Si 0.49500 0.23200 0.70900 1.000 1.750 Si 0.48000 0.78200 0.70900 1.000 1.750 O 0.18800 0.02000 0.89300 1.000 1.750 O 0.27000 0.49500 0.47000 1.000 1.750 O 0.37100 0.13500 0.74000 1.000 1.750 O 0.37500 0.87000 0.78000 1.000 1.750 O 0.62800 0.17000 0.75400 1.000 1.750 O 0.61000 0.84000 0.81300 1.000 1.750 O 0.50000 0.27500 0.50000 1.000 1.750 O 0.50000 0.74500 0.50000 1.000 1.750 O 0.04000 0.85500 0.17600 1.000 1.750 O 0.06600 0.13500 0.19600 1.000 1.750 Na 0.24800 0.24600 0.00000 1.000 1.750 Na 0.00000 0.01500 0.50000 0.500 1.750 OH 0.00000 0.01500 0.50000 0.500 1.750 X-RAY WAVELENGTHS: 1.540562 1.544390 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 9 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 10.32812429 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.17 / 12.20 52.93 / 26.47 7.2646 1 1 0 12.18 / 12.21 28.81 / 14.40 7.2620 0 0 1 16.97 / 17.01 1.75 / 0.87 5.2217 -1 1 1 16.98 / 17.02 49.62 / 24.81 5.2168 2 0 0 17.53 / 17.58 100.00 / 50.00 5.0543 1 1 1 20.48 / 20.53 5.83 / 2.92 4.3340 -2 0 1 21.38 / 21.44 7.57 / 3.78 4.1519 0 2 1 21.41 / 21.47 5.38 / 2.69 4.1460 2 0 1 24.49 / 24.55 17.69 / 8.85 3.6323 2 2 0 24.50 / 24.56 7.26 / 3.63 3.6310 0 0 2 27.07 / 27.13 48.32 / 24.16 3.2918 -2 2 1 27.07 / 27.14 37.72 / 18.86 3.2910 -1 1 2 27.09 / 27.16 32.58 / 16.29 3.2891 3 1 0 27.77 / 27.84 37.56 / 18.78 3.2100 1 3 0 27.79 / 27.86 34.07 / 17.03 3.2071 2 2 1 27.80 / 27.87 29.46 / 14.73 3.2064 1 1 2 29.28 / 29.35 1.01 / 0.51 3.0478 -2 0 2 29.28 / 29.36 20.41 / 10.20 3.0472 -3 1 1 30.27 / 30.35 18.39 / 9.19 2.9502 0 2 2 30.30 / 30.38 1.33 / 0.67 2.9475 3 1 1 30.59 / 30.66 21.15 / 10.57 2.9205 1 3 1 34.32 / 34.41 30.09 / 15.05 2.6108 -2 2 2 34.35 / 34.44 16.92 / 8.46 2.6084 4 0 0 35.45 / 35.54 14.45 / 7.22 2.5303 0 4 0 35.49 / 35.58 32.28 / 16.14 2.5272 2 2 2 36.01 / 36.10 1.29 / 0.65 2.4922 -4 0 1 37.64 / 37.73 2.22 / 1.11 2.3880 1 3 2 38.78 / 38.88 1.16 / 0.58 2.3200 -3 3 1 38.79 / 38.90 1.74 / 0.87 2.3193 -1 1 3 39.55 / 39.65 1.20 / 0.60 2.2766 2 4 0 41.28 / 41.39 1.37 / 0.69 2.1851 -2 4 1 41.33 / 41.44 4.15 / 2.08 2.1826 4 2 1 41.64 / 41.75 9.52 / 4.76 2.1670 -4 0 2 41.83 / 41.94 2.59 / 1.30 2.1576 2 0 3 43.56 / 43.67 12.03 / 6.01 2.0759 0 4 2 43.63 / 43.74 2.85 / 1.43 2.0730 4 0 2 44.28 / 44.40 5.19 / 2.60 2.0437 5 1 0 45.50 / 45.62 4.35 / 2.17 1.9920 -4 2 2 45.52 / 45.64 2.93 / 1.46 1.9912 -5 1 1 45.67 / 45.79 5.34 / 2.67 1.9850 3 3 2 45.67 / 45.79 5.63 / 2.81 1.9848 2 2 3 46.63 / 46.75 3.96 / 1.98 1.9462 -1 3 3 46.68 / 46.80 1.10 / 0.55 1.9442 5 1 1 47.32 / 47.44 2.37 / 1.19 1.9195 1 3 3 47.51 / 47.63 3.07 / 1.53 1.9124 1 5 1 47.53 / 47.66 2.13 / 1.07 1.9114 2 4 2 47.58 / 47.70 1.50 / 0.75 1.9097 3 1 3 50.16 / 50.29 3.75 / 1.88 1.8172 -4 0 3 50.17 / 50.30 7.20 / 3.60 1.8169 -5 1 2 50.19 / 50.32 25.97 / 12.99 1.8162 4 4 0 50.21 / 50.34 10.98 / 5.49 1.8155 0 0 4 52.24 / 52.38 6.92 / 3.46 1.7498 -1 5 2 52.26 / 52.40 6.72 / 3.36 1.7491 0 4 3 52.28 / 52.41 1.53 / 0.76 1.7485 4 4 1 52.32 / 52.46 2.04 / 1.02 1.7471 5 1 2 52.53 / 52.67 4.53 / 2.27 1.7406 -3 3 3 52.59 / 52.73 1.61 / 0.80 1.7389 6 0 0 52.66 / 52.80 6.18 / 3.09 1.7367 1 5 2 52.74 / 52.88 1.28 / 0.64 1.7344 4 0 3 53.55 / 53.69 2.01 / 1.01 1.7100 -3 5 1 53.60 / 53.75 1.47 / 0.73 1.7083 5 3 1 54.34 / 54.49 1.95 / 0.98 1.6868 0 6 0 54.41 / 54.56 4.89 / 2.44 1.6848 3 3 3 54.74 / 54.89 1.58 / 0.79 1.6755 -2 4 3 55.96 / 56.11 1.89 / 0.94 1.6418 2 4 3 56.00 / 56.15 2.06 / 1.03 1.6407 4 2 3 56.78 / 56.93 2.47 / 1.23 1.6200 -3 1 4 56.78 / 56.93 3.26 / 1.63 1.6200 -5 3 2 56.80 / 56.96 3.32 / 1.66 1.6194 -6 2 1 57.92 / 58.08 2.27 / 1.13 1.5908 -3 5 2 57.95 / 58.11 2.99 / 1.50 1.5901 -1 3 4 58.00 / 58.16 5.45 / 2.73 1.5889 6 2 1 58.68 / 58.84 3.21 / 1.61 1.5720 -2 6 1 58.74 / 58.90 1.78 / 0.89 1.5706 1 3 4 58.76 / 58.92 4.08 / 2.04 1.5700 5 3 2 59.07 / 59.24 3.69 / 1.84 1.5625 2 6 1 59.10 / 59.27 1.88 / 0.94 1.5618 3 5 2 59.16 / 59.32 4.32 / 2.16 1.5605 3 1 4 60.73 / 60.89 1.36 / 0.68 1.5239 -4 0 4 60.74 / 60.91 2.73 / 1.37 1.5236 -6 2 2 62.92 / 63.09 2.77 / 1.38 1.4760 -4 4 3 62.92 / 63.10 2.13 / 1.06 1.4759 -2 6 2 62.92 / 63.10 2.87 / 1.44 1.4758 -3 3 4 62.96 / 63.13 3.53 / 1.76 1.4751 0 4 4 63.02 / 63.20 3.11 / 1.55 1.4738 6 2 2 63.67 / 63.85 3.01 / 1.50 1.4602 2 6 2 63.73 / 63.90 1.07 / 0.53 1.4592 -5 3 3 63.76 / 63.94 1.77 / 0.88 1.4585 4 0 4 64.99 / 65.17 1.17 / 0.59 1.4338 -2 4 4 65.03 / 65.21 2.03 / 1.01 1.4331 6 4 0 65.07 / 65.26 1.99 / 1.00 1.4322 1 7 0 65.92 / 66.10 2.07 / 1.04 1.4159 5 5 1 65.94 / 66.13 1.81 / 0.90 1.4154 1 1 5 66.58 / 66.77 1.13 / 0.57 1.4034 1 7 1 67.75 / 67.94 1.31 / 0.65 1.3820 6 0 3 68.75 / 68.94 3.58 / 1.79 1.3643 -5 5 2 68.77 / 68.96 5.02 / 2.51 1.3640 -2 2 5 68.80 / 69.00 3.04 / 1.52 1.3634 7 3 0 69.53 / 69.73 1.16 / 0.58 1.3509 -3 1 5 70.47 / 70.67 3.38 / 1.69 1.3351 3 7 0 70.54 / 70.74 2.32 / 1.16 1.3340 5 5 2 70.56 / 70.76 3.22 / 1.61 1.3337 2 2 5 70.72 / 70.92 1.47 / 0.73 1.3311 -4 6 2 71.57 / 71.78 1.44 / 0.72 1.3173 -3 7 1 72.32 / 72.53 5.40 / 2.70 1.3054 -4 4 4 72.40 / 72.61 1.68 / 0.84 1.3042 8 0 0 75.01 / 75.23 2.14 / 1.07 1.2651 0 8 0 75.12 / 75.34 2.68 / 1.34 1.2636 4 4 4 79.08 / 79.32 1.02 / 0.51 1.2100 -8 2 2 79.20 / 79.43 1.01 / 0.50 1.2085 4 2 5 79.82 / 80.05 1.74 / 0.87 1.2006 -6 6 1 79.85 / 80.09 1.55 / 0.77 1.2002 -1 1 6 80.80 / 81.05 1.19 / 0.60 1.1885 5 7 0 83.22 / 83.47 1.07 / 0.53 1.1600 -6 6 2 85.17 / 85.43 1.16 / 0.58 1.1383 4 8 0 87.56 / 87.83 1.44 / 0.72 1.1133 -6 2 5 87.56 / 87.83 1.05 / 0.53 1.1133 -7 3 4 87.60 / 87.88 1.36 / 0.68 1.1128 -9 1 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.