Rynersonite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080063 Jahnberg L Acta Chemica Scandinavica 17 (1963) 2548-2559 Crystal structure of orthorhombic CaTa2O6 Locality: synthetic CELL PARAMETERS: 11.0860 7.5120 5.3680 90.000 90.000 90.000 SPACE GROUP: Pnma ATOM X Y Z OCCUPANCY ISO(B) Ca 0.04200 0.25000 0.54000 1.000 1.000 Ta 0.14120 -0.00560 0.03760 1.000 0.930 O -0.02400 0.03500 0.22500 1.000 1.000 O 0.21300 0.04900 0.38300 1.000 0.600 O 0.14600 0.25000 -0.03300 1.000 3.200 O 0.12200 -0.25000 0.16200 1.000 1.500 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 6 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 132.6720851 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.99 2.20 5.5430 2 0 0 18.36 100.00 4.8314 1 0 1 21.87 1.64 4.0635 1 1 1 23.06 12.07 3.8561 2 0 1 23.69 83.24 3.7560 0 2 0 28.71 9.04 3.1094 2 2 0 29.34 94.97 3.0438 3 0 1 30.14 92.09 2.9653 1 2 1 31.72 1.22 2.8210 3 1 1 32.30 27.29 2.7715 4 0 0 33.30 6.85 2.6906 2 2 1 33.38 33.14 2.6840 0 0 2 34.38 5.79 2.6086 1 0 2 36.49 2.65 2.4626 4 0 1 37.22 2.11 2.4157 2 0 2 38.05 49.61 2.3648 3 2 1 39.72 1.04 2.2693 0 3 1 40.45 27.67 2.2301 4 2 0 40.58 1.22 2.2232 1 3 1 41.35 20.83 2.1837 0 2 2 41.59 4.36 2.1716 3 0 2 42.18 5.00 2.1426 1 2 2 43.97 1.66 2.0594 4 2 1 44.20 4.48 2.0493 5 0 1 44.60 7.21 2.0318 2 2 2 47.14 19.81 1.9281 4 0 2 48.42 1.93 1.8800 3 2 2 48.47 20.19 1.8780 0 4 0 49.32 4.80 1.8477 6 0 0 50.75 2.93 1.7989 5 2 1 51.75 2.87 1.7665 1 0 3 52.26 12.04 1.7504 1 4 1 52.37 1.29 1.7471 6 0 1 52.65 1.12 1.7385 2 3 2 53.42 30.98 1.7153 4 2 2 53.61 3.68 1.7094 5 0 2 53.84 7.45 1.7028 2 0 3 54.34 1.93 1.6884 2 4 1 55.42 5.80 1.6579 6 2 0 57.20 9.37 1.6105 3 0 3 57.67 8.68 1.5985 1 2 3 57.68 26.45 1.5983 3 4 1 58.17 1.05 1.5859 5 3 1 59.41 7.12 1.5558 5 2 2 59.45 9.99 1.5547 4 4 0 59.61 13.89 1.5509 2 2 3 60.13 11.47 1.5387 0 4 2 60.77 3.02 1.5241 1 4 2 60.87 2.94 1.5219 6 0 2 61.00 14.71 1.5190 7 0 1 61.71 1.23 1.5033 4 0 3 62.78 9.98 1.4801 3 2 3 65.74 1.42 1.4205 3 4 2 66.26 3.89 1.4105 6 2 2 66.39 16.86 1.4082 7 2 1 67.60 2.02 1.3858 8 0 0 67.67 1.71 1.3845 5 4 1 69.93 10.07 1.3453 4 4 2 70.12 1.50 1.3420 0 0 4 70.71 2.83 1.3323 1 0 4 71.65 2.61 1.3171 6 4 0 72.74 3.38 1.3001 8 2 0 73.62 1.92 1.2867 1 4 3 73.71 1.64 1.2854 6 0 3 75.16 2.10 1.2641 5 4 2 75.18 1.72 1.2638 0 2 4 75.34 4.51 1.2615 2 4 3 75.35 1.17 1.2614 3 0 4 75.75 4.77 1.2556 1 2 4 76.01 2.05 1.2520 0 6 0 77.52 1.65 1.2313 8 0 2 78.19 5.98 1.2225 3 4 3 78.68 1.65 1.2161 6 2 3 79.00 4.84 1.2120 1 6 1 79.32 1.34 1.2079 4 0 4 80.29 1.31 1.1958 3 2 4 81.09 2.59 1.1859 7 0 3 81.38 2.40 1.1824 6 4 2 81.50 10.35 1.1810 7 4 1 82.43 3.82 1.1701 8 2 2 83.49 5.20 1.1579 3 6 1 84.20 2.80 1.1499 4 2 4 84.36 1.89 1.1481 5 0 4 85.01 3.51 1.1410 4 6 0 85.60 2.49 1.1346 0 6 2 85.95 4.06 1.1309 7 2 3 87.04 1.03 1.1195 9 0 2 87.48 1.81 1.1150 8 4 0 88.12 1.61 1.1086 10 0 0 89.20 5.75 1.0979 5 2 4 89.83 1.53 1.0919 0 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.