Strakhovite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080039 Yamnova N A, Puscharovskii D Y, Mernaf T, Kalinin V V, Kalacheva L V Kristallografiya 37 (1992) 345-351 Crystal structure of a new natural Na, Ba, Mn-fluorosilicate CELL PARAMETERS: 23.3100 12.2380 7.1677 90.000 90.000 90.000 SPACE GROUP: Pnma ATOM X Y Z OCCUPANCY ISO(B) Ba 0.00280 0.25000 0.03060 1.000 0.390 Ba 0.20420 0.02120 0.52300 1.000 0.400 Mn 0.15660 0.12490 0.00660 1.000 0.200 Mn 0.34900 0.12070 0.50440 1.000 0.400 Na 0.39640 0.25000 0.86600 1.000 1.600 Si 0.06190 0.00380 0.24800 1.000 0.400 Si 0.26480 0.25000 0.24000 1.000 0.400 Si 0.26400 0.25000 0.84400 1.000 0.200 Si 0.06620 0.02770 0.68200 1.000 0.200 O 0.30200 0.25000 0.04200 1.000 0.300 O 0.31500 0.25000 0.68000 1.000 1.200 O 0.41860 0.01800 0.97000 1.000 1.200 O 0.19300 0.25000 0.19100 1.000 0.700 F 0.38300 0.25000 0.38300 1.000 0.400 O 0.12200 -0.00200 0.80500 1.000 0.200 O 0.18360 -0.00100 0.12500 1.000 0.800 O 0.49270 0.03100 0.25500 1.000 0.600 OH 0.05200 0.16400 0.67800 1.000 1.600 O 0.28220 0.13900 0.34500 1.000 0.700 O 0.22580 0.13900 0.84800 1.000 0.200 O 0.08720 0.11900 0.16300 1.000 0.900 O 0.41900 0.11500 0.64600 1.000 0.700 Wa 0.47600 0.25000 0.07800 1.000 0.200 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 21 +/- 11 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 22.20575494 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.59 43.77 11.6550 2 0 0 10.48 2.57 8.4399 2 1 0 12.92 43.00 6.8511 1 0 1 14.48 22.80 6.1190 0 2 0 15.20 6.98 5.8275 4 0 0 16.36 25.24 5.4177 2 2 0 19.45 50.87 4.5638 1 2 1 19.63 1.08 4.5216 4 0 1 20.55 1.11 4.3220 2 2 1 20.94 1.52 4.2414 4 1 1 21.05 8.03 4.2200 4 2 0 22.27 1.50 3.9925 3 2 1 22.75 2.58 3.9081 5 0 1 22.89 5.66 3.8850 6 0 0 23.10 7.41 3.8503 2 3 0 24.03 1.46 3.7029 6 1 0 24.48 1.98 3.6365 4 2 1 24.84 24.59 3.5838 0 0 2 25.12 1.40 3.5454 0 3 1 25.14 1.97 3.5422 1 0 2 25.41 13.85 3.5051 1 3 1 26.01 14.23 3.4256 2 0 2 26.09 1.26 3.4156 6 0 1 26.19 6.14 3.4026 1 1 2 26.67 2.81 3.3419 4 3 0 27.07 57.54 3.2936 5 2 1 27.10 2.45 3.2898 6 1 1 27.19 3.91 3.2798 6 2 0 27.41 1.97 3.2544 3 0 2 27.66 2.00 3.2255 3 3 1 29.13 7.61 3.0656 1 2 2 29.19 18.42 3.0595 0 4 0 29.58 78.93 3.0200 7 0 1 29.89 100.00 2.9890 2 2 2 30.17 2.15 2.9620 4 1 2 30.68 2.00 2.9137 8 0 0 31.71 1.50 2.8220 5 3 1 31.81 3.78 2.8133 6 3 0 32.04 7.64 2.7936 1 4 1 33.07 25.72 2.7089 4 4 0 33.08 6.92 2.7081 7 2 1 33.88 79.27 2.6457 3 4 1 34.01 1.43 2.6359 8 1 1 34.03 32.39 2.6342 6 0 2 34.08 29.22 2.6307 8 2 0 36.77 4.57 2.4441 4 3 2 36.84 6.24 2.4395 7 0 2 36.90 2.17 2.4359 9 0 1 37.04 1.14 2.4272 7 3 1 37.16 2.68 2.4195 6 2 2 37.33 2.35 2.4091 5 4 1 37.85 1.70 2.3768 1 0 3 37.95 2.60 2.3710 8 3 0 38.63 2.63 2.3310 10 0 0 38.90 1.36 2.3154 1 4 2 39.08 3.55 2.3049 1 5 1 39.19 3.42 2.2989 2 1 3 39.46 4.38 2.2837 3 0 3 39.54 1.86 2.2789 6 4 1 39.83 11.37 2.2631 9 2 1 39.95 1.42 2.2566 4 5 0 40.17 1.08 2.2450 3 1 3 40.47 6.54 2.2291 3 4 2 40.64 2.45 2.2197 3 5 1 40.70 3.82 2.2167 10 0 1 40.73 7.04 2.2155 1 2 3 40.78 1.92 2.2129 6 3 2 41.80 22.55 2.1610 4 4 2 41.97 1.06 2.1525 4 5 1 42.04 11.06 2.1493 7 4 1 42.52 1.60 2.1263 5 0 3 42.63 10.52 2.1207 8 2 2 43.09 2.39 2.0992 9 0 2 43.71 1.77 2.0709 6 5 0 43.75 1.15 2.0690 9 1 2 43.92 1.50 2.0616 0 3 3 44.52 1.82 2.0352 6 0 3 44.63 1.57 2.0301 2 3 3 45.02 1.14 2.0137 1 5 2 45.13 2.11 2.0091 2 6 0 45.14 12.64 2.0085 5 2 3 45.16 2.22 2.0076 6 1 3 45.69 1.50 1.9856 9 2 2 46.45 5.20 1.9549 1 6 1 46.47 3.01 1.9540 10 0 2 46.80 19.54 1.9413 7 0 3 47.06 2.05 1.9312 6 2 3 47.12 2.58 1.9286 11 2 1 47.42 1.13 1.9173 7 1 3 47.62 2.65 1.9096 4 5 2 47.68 3.91 1.9074 7 4 2 47.73 1.88 1.9056 9 4 1 48.79 1.12 1.8666 9 3 2 48.93 1.64 1.8614 10 2 2 49.14 16.78 1.8542 10 4 0 49.21 4.99 1.8514 12 2 0 49.83 27.54 1.8301 3 4 3 50.09 1.76 1.8211 6 3 3 50.15 2.26 1.8189 11 3 1 50.47 5.49 1.8082 5 6 1 50.54 1.07 1.8059 6 6 0 50.93 2.14 1.7931 6 5 2 50.96 5.74 1.7919 0 0 4 51.12 1.33 1.7867 1 0 4 52.08 3.50 1.7561 9 0 3 52.19 12.62 1.7525 2 6 2 52.40 2.23 1.7461 3 0 4 52.40 2.22 1.7460 5 4 3 52.62 9.72 1.7395 13 0 1 52.96 2.22 1.7289 2 7 0 53.04 2.37 1.7265 9 5 1 53.19 1.75 1.7222 13 1 1 53.27 2.36 1.7197 0 2 4 53.42 1.08 1.7150 1 2 4 53.76 2.06 1.7051 1 5 3 53.89 2.30 1.7013 2 2 4 54.14 4.36 1.6940 1 7 1 54.18 3.20 1.6928 11 4 1 54.22 1.83 1.6916 2 5 3 54.35 7.12 1.6880 9 2 3 54.66 1.42 1.6791 3 2 4 54.95 5.88 1.6709 8 6 0 54.99 2.05 1.6698 3 5 3 55.16 4.77 1.6650 14 0 0 55.37 1.66 1.6593 3 7 1 55.83 27.26 1.6468 10 4 2 55.90 7.26 1.6449 12 2 2 56.08 1.43 1.6399 12 4 0 56.56 4.13 1.6272 6 0 4 57.35 1.30 1.6066 14 2 0 57.40 1.35 1.6052 3 3 4 57.83 2.16 1.5943 6 7 0 59.07 1.48 1.5638 9 6 1 59.74 1.33 1.5478 1 6 3 59.89 1.40 1.5443 10 3 3 60.52 9.97 1.5297 0 8 0 60.64 1.36 1.5271 10 5 2 60.82 2.56 1.5231 9 4 3 61.01 1.05 1.5187 15 0 1 61.08 3.41 1.5171 4 7 2 61.20 1.84 1.5144 8 6 2 61.26 1.10 1.5130 7 7 1 61.40 2.84 1.5100 14 0 2 61.89 1.14 1.4991 8 7 0 62.11 7.78 1.4945 4 4 4 62.18 2.54 1.4930 1 8 1 62.26 2.33 1.4912 12 4 2 62.74 2.34 1.4810 8 2 4 62.89 1.52 1.4777 11 3 3 63.07 8.35 1.4740 15 2 1 63.17 3.96 1.4719 5 6 3 64.91 1.12 1.4366 6 4 4 65.03 5.09 1.4341 13 0 3 65.75 1.22 1.4203 9 7 1 65.87 1.11 1.4179 13 5 1 66.45 2.26 1.4069 0 8 2 66.47 2.41 1.4067 12 6 0 67.19 1.21 1.3933 1 2 5 67.26 1.06 1.3920 4 0 5 67.47 1.37 1.3882 3 7 3 67.75 1.10 1.3831 4 1 5 68.58 1.38 1.3683 11 0 4 68.79 6.53 1.3647 7 8 1 69.22 1.93 1.3574 4 2 5 69.67 1.05 1.3496 16 0 2 69.84 1.07 1.3468 17 0 1 70.42 2.93 1.3371 5 2 5 70.53 1.32 1.3353 11 2 4 70.62 1.15 1.3338 1 9 1 70.80 2.94 1.3308 9 6 3 71.14 1.99 1.3253 11 7 1 71.29 5.74 1.3229 6 8 2 71.60 2.27 1.3179 16 2 2 71.63 1.07 1.3174 4 3 5 71.67 4.47 1.3167 7 0 5 71.76 4.57 1.3154 16 4 0 72.14 1.69 1.3094 12 6 2 72.84 1.18 1.2985 13 4 3 73.50 6.10 1.2885 10 4 4 73.56 2.69 1.2876 12 2 4 73.84 1.12 1.2834 6 9 0 74.04 5.07 1.2804 3 4 5 74.47 1.55 1.2741 15 2 3 74.95 3.79 1.2671 4 4 5 76.02 1.52 1.2519 16 5 0 76.22 1.43 1.2491 11 4 4 76.73 2.49 1.2421 4 9 2 77.22 1.10 1.2354 3 7 4 77.43 8.05 1.2326 17 4 1 78.12 1.17 1.2235 4 7 4 78.22 1.11 1.2221 8 6 4 78.40 2.19 1.2197 14 0 4 78.52 3.00 1.2181 15 6 1 79.29 1.21 1.2083 6 9 2 79.39 1.04 1.2070 10 7 3 79.83 4.78 1.2015 7 8 3 80.38 1.56 1.1946 0 0 6 80.39 2.19 1.1945 18 2 2 80.98 1.34 1.1873 9 9 1 81.06 2.38 1.1863 19 2 1 82.06 1.93 1.1744 11 7 3 82.57 1.34 1.1684 3 9 3 82.82 1.01 1.1655 20 0 0 83.00 1.53 1.1635 0 8 4 83.97 1.51 1.1525 2 10 2 84.31 3.11 1.1487 13 8 1 85.34 1.21 1.1374 5 6 5 85.75 1.16 1.1330 14 4 4 86.03 1.02 1.1301 11 9 1 86.37 1.10 1.1265 14 8 0 87.02 1.02 1.1197 13 0 5 87.53 1.43 1.1145 6 8 4 88.13 4.07 1.1085 17 4 3 88.14 2.59 1.1084 20 0 2 88.33 1.04 1.1065 12 6 4 89.18 1.63 1.0982 1 11 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.