Leucosphenite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060201 Malinovskii Yu A, Yamnova N A, Belov N V Soviet Physics Doklady Akademii Nauk SSSR 257 (1981) 1128-1132 The refined crystal structure of the leucosphenite CELL PARAMETERS: 9.8014 16.9710 7.2532 90.000 93.243 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Ba 0.00000 0.00000 0.00000 1.000 0.740 Na 0.50000 0.22182 0.50000 1.000 1.370 Na 0.30104 0.00000 0.49241 1.000 1.380 Ti 0.00000 0.08552 0.50000 1.000 0.350 B 0.49228 0.08183 0.20175 0.500 0.520 Si 0.49228 0.08183 0.20175 0.500 0.520 Si 0.24872 0.16586 0.76531 1.000 0.440 Si 0.22138 0.15308 0.18948 1.000 0.440 O 0.09309 0.00000 0.62514 1.000 0.500 O 0.12167 0.09214 0.28665 1.000 0.710 O 0.12080 0.16687 0.61915 1.000 0.690 O 0.45918 0.00000 0.27773 1.000 0.900 O 0.50000 0.08837 0.00000 1.000 1.230 O 0.18309 0.24593 0.21368 1.000 0.750 O 0.20389 0.13225 0.96665 1.000 0.680 O 0.62882 0.11017 0.30800 1.000 0.670 O 0.37885 0.14111 0.26881 1.000 0.660 X-RAY WAVELENGTHS: 1.540562 1.544390 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 15 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 10.98865262 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.42 / 10.44 29.46 / 14.73 8.4855 0 2 0 10.43 / 10.45 47.30 / 23.65 8.4774 1 1 0 16.08 / 16.12 3.64 / 1.82 5.5084 0 2 1 18.10 / 18.14 11.83 / 5.91 4.8975 1 3 0 18.12 / 18.16 2.19 / 1.09 4.8929 2 0 0 20.92 / 20.97 16.62 / 8.31 4.2428 0 4 0 20.94 / 20.99 100.00 / 50.00 4.2387 2 2 0 21.60 / 21.65 14.50 / 7.25 4.1112 -1 3 1 22.18 / 22.24 6.04 / 3.02 4.0046 1 3 1 22.48 / 22.54 4.13 / 2.06 3.9518 2 0 1 23.78 / 23.84 21.57 / 10.79 3.7389 -2 2 1 24.57 / 24.63 4.18 / 2.09 3.6208 0 0 2 24.83 / 24.90 33.76 / 16.88 3.5824 2 2 1 26.26 / 26.33 51.20 / 25.60 3.3903 -1 1 2 26.75 / 26.81 27.96 / 13.98 3.3303 0 2 2 27.23 / 27.30 20.31 / 10.15 3.2724 1 1 2 27.80 / 27.87 5.42 / 2.71 3.2068 1 5 0 27.81 / 27.88 18.87 / 9.44 3.2055 2 4 0 27.83 / 27.90 1.12 / 0.56 3.2033 3 1 0 29.83 / 29.91 32.67 / 16.34 2.9926 -2 0 2 30.04 / 30.12 12.63 / 6.31 2.9722 -2 4 1 30.25 / 30.32 13.78 / 6.89 2.9525 -1 5 1 30.67 / 30.75 35.66 / 17.83 2.9122 1 5 1 30.90 / 30.98 19.09 / 9.54 2.8917 2 4 1 31.10 / 31.18 11.05 / 5.53 2.8729 1 3 2 31.13 / 31.20 3.33 / 1.67 2.8711 3 1 1 31.53 / 31.61 11.39 / 5.70 2.8348 2 0 2 31.61 / 31.69 5.48 / 2.74 2.8285 0 6 0 31.64 / 31.72 18.72 / 9.36 2.8258 3 3 0 31.68 / 31.76 4.21 / 2.11 2.8222 -2 2 2 32.48 / 32.56 22.00 / 11.00 2.7542 0 4 2 33.44 / 33.53 2.14 / 1.07 2.6773 -3 3 1 34.00 / 34.09 4.77 / 2.39 2.6347 0 6 1 34.61 / 34.69 5.44 / 2.72 2.5898 3 3 1 36.37 / 36.46 17.43 / 8.72 2.4682 -3 1 2 36.67 / 36.76 13.21 / 6.61 2.4488 2 6 0 36.70 / 36.80 11.15 / 5.57 2.4464 4 0 0 36.72 / 36.81 1.92 / 0.96 2.4455 -2 4 2 38.21 / 38.31 3.30 / 1.65 2.3533 1 7 0 38.24 / 38.33 1.12 / 0.56 2.3519 3 5 0 38.26 / 38.36 2.26 / 1.13 2.3507 4 2 0 38.51 / 38.61 8.35 / 4.17 2.3356 3 1 2 38.75 / 38.85 6.24 / 3.12 2.3217 0 2 3 39.13 / 39.23 23.48 / 11.74 2.3001 2 6 1 39.27 / 39.37 4.19 / 2.10 2.2922 1 1 3 39.44 / 39.55 10.57 / 5.28 2.2826 -3 3 2 39.51 / 39.61 10.99 / 5.50 2.2790 4 0 1 39.63 / 39.73 3.96 / 1.98 2.2724 -4 2 1 39.78 / 39.88 13.82 / 6.91 2.2642 -3 5 1 40.09 / 40.20 7.67 / 3.84 2.2471 -1 7 1 40.43 / 40.54 7.01 / 3.51 2.2292 1 7 1 40.79 / 40.89 14.44 / 7.22 2.2105 3 5 1 41.19 / 41.30 3.50 / 1.75 2.1899 -1 3 3 41.45 / 41.56 7.70 / 3.85 2.1765 3 3 2 42.13 / 42.24 1.87 / 0.94 2.1432 -2 2 3 42.17 / 42.28 1.85 / 0.92 2.1413 1 3 3 42.58 / 42.69 5.36 / 2.68 2.1214 0 8 0 42.62 / 42.74 1.28 / 0.64 2.1193 4 4 0 42.66 / 42.77 4.83 / 2.42 2.1177 2 0 3 43.42 / 43.53 2.98 / 1.49 2.0825 -4 0 2 44.01 / 44.13 7.91 / 3.95 2.0556 -2 6 2 44.46 / 44.58 2.15 / 1.08 2.0358 0 8 1 44.77 / 44.89 7.27 / 3.63 2.0225 -4 2 2 45.06 / 45.18 1.59 / 0.79 2.0101 -3 5 2 45.65 / 45.77 4.89 / 2.45 1.9855 -1 7 2 45.89 / 46.01 3.67 / 1.83 1.9759 4 0 2 46.19 / 46.32 3.77 / 1.88 1.9636 -2 4 3 46.64 / 46.76 9.39 / 4.70 1.9460 -1 5 3 46.64 / 46.76 2.30 / 1.15 1.9458 3 7 0 46.68 / 46.80 1.43 / 0.72 1.9443 5 1 0 47.19 / 47.31 1.80 / 0.90 1.9244 4 2 2 47.53 / 47.65 3.69 / 1.85 1.9116 1 5 3 47.71 / 47.83 2.27 / 1.14 1.9048 -5 1 1 47.97 / 48.10 2.56 / 1.28 1.8948 2 4 3 48.09 / 48.22 1.61 / 0.81 1.8903 -2 8 1 48.33 / 48.46 1.05 / 0.53 1.8815 -3 3 3 48.42 / 48.55 2.27 / 1.14 1.8783 3 1 3 48.83 / 48.96 1.62 / 0.81 1.8635 3 7 1 49.16 / 49.29 1.65 / 0.83 1.8519 5 1 1 49.20 / 49.33 1.14 / 0.57 1.8503 4 6 0 49.61 / 49.74 2.34 / 1.17 1.8361 0 6 3 50.21 / 50.34 1.55 / 0.78 1.8155 -5 3 1 50.33 / 50.46 3.94 / 1.97 1.8114 -4 6 1 50.36 / 50.50 12.09 / 6.04 1.8104 0 0 4 50.72 / 50.85 4.26 / 2.13 1.7985 -1 9 1 51.00 / 51.13 1.68 / 0.84 1.7893 1 9 1 51.45 / 51.59 5.94 / 2.97 1.7746 4 6 1 51.58 / 51.71 1.22 / 0.61 1.7705 0 2 4 52.08 / 52.22 1.82 / 0.91 1.7545 -5 1 2 52.13 / 52.27 1.44 / 0.72 1.7530 1 1 4 52.42 / 52.56 13.10 / 6.55 1.7439 -2 6 3 53.41 / 53.56 3.50 / 1.75 1.7139 -1 3 4 54.05 / 54.20 8.01 / 4.00 1.6952 2 6 3 54.05 / 54.20 4.75 / 2.38 1.6952 -2 2 4 54.44 / 54.59 2.41 / 1.20 1.6840 -5 3 2 54.69 / 54.83 1.05 / 0.53 1.6770 -4 6 2 54.79 / 54.93 1.59 / 0.79 1.6742 5 1 2 54.80 / 54.95 1.60 / 0.80 1.6737 1 7 3 54.88 / 55.02 4.37 / 2.18 1.6716 4 0 3 54.97 / 55.12 5.63 / 2.82 1.6691 -5 5 1 55.61 / 55.76 3.51 / 1.76 1.6512 3 5 3 55.97 / 56.13 1.28 / 0.64 1.6414 1 9 2 56.02 / 56.18 1.39 / 0.69 1.6401 4 2 3 56.28 / 56.44 7.13 / 3.56 1.6332 5 5 1 56.30 / 56.45 4.52 / 2.26 1.6328 -4 4 3 56.31 / 56.46 1.64 / 0.82 1.6325 3 9 0 56.37 / 56.52 1.20 / 0.60 1.6310 6 0 0 56.79 / 56.94 1.62 / 0.81 1.6198 4 6 2 56.97 / 57.13 3.25 / 1.63 1.6150 -3 1 4 57.07 / 57.22 1.58 / 0.79 1.6126 5 3 2 57.42 / 57.58 10.00 / 5.00 1.6034 2 10 0 57.49 / 57.65 1.96 / 0.98 1.6016 6 2 0 57.82 / 57.97 2.02 / 1.01 1.5935 0 8 3 58.70 / 58.86 2.39 / 1.20 1.5716 -2 10 1 59.38 / 59.54 3.98 / 1.99 1.5553 4 4 3 59.48 / 59.64 2.46 / 1.23 1.5528 4 8 1 59.52 / 59.68 1.21 / 0.60 1.5519 2 4 4 59.77 / 59.94 3.64 / 1.82 1.5458 6 2 1 60.17 / 60.33 4.74 / 2.37 1.5367 0 10 2 60.37 / 60.53 1.64 / 0.82 1.5321 -2 8 3 60.72 / 60.89 1.79 / 0.90 1.5240 1 11 0 60.77 / 60.94 2.88 / 1.44 1.5229 5 7 0 60.79 / 60.96 1.55 / 0.77 1.5223 6 4 0 60.92 / 61.08 3.45 / 1.72 1.5196 -6 0 2 61.63 / 61.80 4.58 / 2.29 1.5037 -5 7 1 61.85 / 62.02 2.19 / 1.10 1.4988 2 8 3 61.97 / 62.14 6.15 / 3.07 1.4963 -4 0 4 62.07 / 62.25 1.33 / 0.67 1.4940 -1 11 1 62.19 / 62.36 1.62 / 0.81 1.4915 3 3 4 62.23 / 62.41 1.30 / 0.65 1.4905 3 7 3 62.44 / 62.61 2.54 / 1.27 1.4861 -4 8 2 62.86 / 63.03 3.74 / 1.87 1.4772 5 7 1 62.92 / 63.10 2.14 / 1.07 1.4759 -2 6 4 63.00 / 63.18 1.04 / 0.52 1.4742 6 4 1 63.61 / 63.78 1.45 / 0.72 1.4616 1 9 3 63.86 / 64.03 1.78 / 0.89 1.4565 6 0 2 64.38 / 64.56 1.79 / 0.90 1.4459 4 8 2 65.10 / 65.28 3.60 / 1.80 1.4317 5 3 3 65.67 / 65.86 1.50 / 0.75 1.4206 -5 5 3 65.84 / 66.02 1.36 / 0.68 1.4174 4 0 4 66.00 / 66.19 5.54 / 2.77 1.4143 0 12 0 66.07 / 66.26 2.49 / 1.25 1.4129 6 6 0 66.28 / 66.46 1.45 / 0.73 1.4091 -1 11 2 66.75 / 66.94 1.49 / 0.74 1.4002 1 11 2 66.78 / 66.97 3.48 / 1.74 1.3997 -6 6 1 66.78 / 66.97 1.32 / 0.66 1.3997 -1 3 5 66.87 / 67.05 1.11 / 0.55 1.3981 4 2 4 67.22 / 67.41 2.22 / 1.11 1.3915 -2 2 5 67.40 / 67.59 1.32 / 0.66 1.3883 0 10 3 69.08 / 69.27 1.52 / 0.76 1.3586 -4 8 3 69.16 / 69.36 2.78 / 1.39 1.3571 7 3 0 69.56 / 69.75 2.10 / 1.05 1.3504 2 2 5 69.68 / 69.88 2.21 / 1.11 1.3483 -3 7 4 69.92 / 70.12 1.62 / 0.81 1.3443 -5 9 1 70.26 / 70.46 1.16 / 0.58 1.3386 -6 6 2 70.26 / 70.46 2.10 / 1.05 1.3386 -2 4 5 70.83 / 71.03 2.88 / 1.44 1.3292 -1 5 5 71.05 / 71.26 1.53 / 0.76 1.3256 -7 1 2 71.35 / 71.55 1.15 / 0.57 1.3208 7 3 1 71.68 / 71.88 3.72 / 1.86 1.3156 -4 10 2 71.89 / 72.10 4.48 / 2.24 1.3122 -3 11 2 71.98 / 72.18 3.61 / 1.81 1.3109 1 5 5 73.00 / 73.21 1.77 / 0.88 1.2949 6 6 2 73.13 / 73.34 1.58 / 0.79 1.2930 3 1 5 73.26 / 73.47 2.00 / 1.00 1.2910 3 11 2 73.38 / 73.60 2.04 / 1.02 1.2891 0 6 5 73.50 / 73.71 1.28 / 0.64 1.2874 4 10 2 73.71 / 73.93 2.85 / 1.43 1.2842 -7 5 1 74.09 / 74.30 3.71 / 1.86 1.2787 -2 12 2 74.10 / 74.32 1.15 / 0.58 1.2784 -4 0 5 74.24 / 74.45 2.30 / 1.15 1.2764 7 1 2 75.09 / 75.31 3.22 / 1.61 1.2640 3 3 5 75.63 / 75.85 2.14 / 1.07 1.2563 -3 5 5 76.35 / 76.57 1.61 / 0.80 1.2463 -6 6 3 76.73 / 76.96 1.53 / 0.77 1.2410 -1 7 5 77.24 / 77.47 1.20 / 0.60 1.2341 -6 2 4 77.85 / 78.08 3.41 / 1.70 1.2260 1 7 5 77.97 / 78.20 2.64 / 1.32 1.2244 4 12 0 78.06 / 78.29 2.53 / 1.26 1.2232 8 0 0 78.20 / 78.43 1.13 / 0.57 1.2214 -1 13 2 78.96 / 79.19 3.34 / 1.67 1.2115 -2 10 4 78.97 / 79.20 1.07 / 0.54 1.2114 3 5 5 79.73 / 79.97 1.17 / 0.59 1.2017 4 12 1 80.13 / 80.37 1.70 / 0.85 1.1967 -6 4 4 80.34 / 80.58 2.36 / 1.18 1.1941 6 6 3 81.41 / 81.66 1.17 / 0.59 1.1811 -3 7 5 81.58 / 81.83 1.62 / 0.81 1.1790 6 0 4 81.83 / 82.08 1.32 / 0.66 1.1761 2 12 3 81.84 / 82.09 1.52 / 0.76 1.1759 6 10 0 82.26 / 82.50 1.16 / 0.58 1.1711 -5 3 5 82.27 / 82.51 1.21 / 0.61 1.1710 -1 11 4 82.33 / 82.58 1.28 / 0.64 1.1703 -8 4 1 82.85 / 83.11 2.41 / 1.21 1.1641 5 9 3 83.10 / 83.36 1.01 / 0.50 1.1613 -5 11 2 83.51 / 83.77 1.21 / 0.61 1.1567 -3 13 2 83.81 / 84.06 1.91 / 0.96 1.1533 6 10 1 84.40 / 84.66 1.34 / 0.67 1.1468 -1 9 5 84.82 / 85.08 2.02 / 1.01 1.1421 3 13 2 85.29 / 85.55 1.47 / 0.73 1.1371 5 11 2 85.37 / 85.63 1.96 / 0.98 1.1362 -8 4 2 86.05 / 86.32 1.27 / 0.63 1.1289 -5 5 5 87.32 / 87.60 1.24 / 0.62 1.1157 -7 3 4 87.34 / 87.62 1.00 / 0.50 1.1155 7 5 3 87.44 / 87.71 1.52 / 0.76 1.1145 0 12 4 88.81 / 89.09 1.01 / 0.50 1.1008 8 6 1 89.71 / 89.99 1.09 / 0.54 1.0922 3 11 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.