Shibkovite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080040 Sokolova E V, Rybakov V B, Pautov L A Doklady Akademii Nauk SSSR 369 (1999) 378-380 Crystal structure of shibkovite CELL PARAMETERS: 10.5290 10.5290 14.2110 90.000 90.000 120.000 SPACE GROUP: P6/mcc ATOM X Y Z OCCUPANCY ISO(B) Ca 0.33333 0.66667 0.25000 0.630 0.810 Mn 0.33333 0.66667 0.25000 0.200 0.810 Na 0.33333 0.66667 0.25000 0.170 0.810 K 0.33333 0.66667 0.00000 0.630 1.390 K 0.00000 0.00000 0.25000 1.000 1.170 Zn 0.00000 0.50000 0.25000 1.000 0.790 Si 0.09800 0.33580 0.11210 1.000 0.400 O 0.10980 0.36760 0.00000 1.000 1.200 O 0.20450 0.27070 0.13930 1.000 1.060 O 0.14030 0.48310 0.16740 1.000 0.810 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 13 MAX. ABS. INTENSITY / VOLUME**2: 14.25773568 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.70 5.79 9.1184 1 0 0 12.46 60.64 7.1055 0 0 2 15.81 16.36 5.6047 1 0 2 16.84 22.91 5.2645 1 1 0 19.47 1.40 4.5592 2 0 0 21.00 4.89 4.2300 1 1 2 23.18 100.00 3.8372 2 0 2 25.06 3.30 3.5528 0 0 4 25.85 3.21 3.4464 2 1 0 26.61 60.74 3.3493 2 1 1 26.93 25.28 3.3104 1 0 4 28.79 7.26 3.1009 2 1 2 29.39 4.33 3.0395 3 0 0 30.35 36.45 2.9449 1 1 4 31.94 58.09 2.8024 2 0 4 32.03 1.36 2.7945 3 0 2 32.12 10.87 2.7869 2 1 3 34.06 45.35 2.6323 2 2 0 35.50 1.32 2.5290 3 1 0 36.07 9.42 2.4899 3 1 1 36.32 3.32 2.4737 2 1 4 36.40 14.29 2.4683 2 2 2 37.76 1.10 2.3826 3 1 2 39.00 2.29 2.3096 3 0 4 39.53 2.83 2.2796 4 0 0 40.43 6.34 2.2310 3 1 3 41.61 15.91 2.1706 4 0 2 42.75 20.17 2.1150 2 2 4 43.04 9.49 2.1018 2 0 6 43.25 3.96 2.0919 3 2 0 43.95 18.95 2.0603 3 1 4 45.59 3.94 1.9898 4 1 0 46.06 3.34 1.9706 4 1 1 46.52 1.21 1.9520 2 1 6 47.38 3.78 1.9186 4 0 4 47.45 1.07 1.9161 4 1 2 48.16 9.75 1.8893 3 1 5 50.01 6.86 1.8237 5 0 0 50.64 2.37 1.8026 3 2 4 51.44 11.77 1.7764 0 0 8 51.93 17.91 1.7607 2 2 6 52.12 2.35 1.7548 3 3 0 52.30 1.67 1.7492 2 1 7 52.73 1.31 1.7361 4 1 4 53.15 4.94 1.7232 4 2 0 53.57 2.86 1.7107 4 2 1 54.82 6.36 1.6747 4 2 2 55.99 5.18 1.6424 4 0 6 56.57 5.36 1.6269 5 1 1 57.77 2.45 1.5959 5 1 2 58.45 1.39 1.5790 2 1 8 58.68 5.84 1.5734 3 3 4 58.90 1.16 1.5679 3 2 6 59.63 6.55 1.5505 4 2 4 59.74 1.27 1.5478 5 1 3 60.35 1.94 1.5337 3 0 8 60.80 1.65 1.5235 4 1 6 60.96 3.00 1.5197 6 0 0 61.90 1.12 1.4991 4 3 0 62.44 1.04 1.4873 5 1 4 62.50 8.60 1.4861 6 0 2 63.09 2.11 1.4735 4 2 5 63.14 17.09 1.4724 2 2 8 63.74 8.67 1.4601 5 2 0 64.11 1.09 1.4525 5 2 1 65.71 1.23 1.4210 4 1 7 65.82 1.83 1.4190 5 1 5 66.76 1.75 1.4012 4 0 8 66.97 8.79 1.3973 6 0 4 67.18 5.29 1.3934 4 2 6 69.25 4.19 1.3567 2 0 10 69.41 2.19 1.3540 3 2 8 69.62 1.67 1.3505 5 2 4 70.28 10.30 1.3394 3 1 9 71.86 1.07 1.3138 2 1 10 72.57 2.43 1.3026 7 0 0 72.93 2.13 1.2972 5 3 1 73.08 1.19 1.2949 6 1 4 73.13 3.14 1.2941 4 4 2 74.13 1.17 1.2791 6 0 6 74.58 1.09 1.2725 5 0 8 75.13 3.88 1.2645 6 2 0 75.48 2.32 1.2595 6 2 1 75.73 1.58 1.2560 5 3 3 76.52 4.58 1.2449 6 2 2 77.11 3.14 1.2369 4 2 8 77.31 8.69 1.2342 4 4 4 78.15 1.42 1.2230 5 3 4 78.25 1.51 1.2217 6 2 3 79.47 2.53 1.2060 4 0 10 81.24 1.06 1.1842 5 3 5 82.94 1.52 1.1642 4 2 9 84.15 1.81 1.1504 4 4 6 84.53 1.82 1.1462 2 0 12 84.59 1.41 1.1456 4 3 8 84.78 1.58 1.1435 7 1 4 85.12 1.19 1.1398 8 0 0 85.41 1.58 1.1367 5 1 9 86.23 5.13 1.1280 5 2 8 87.44 1.46 1.1155 6 2 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.