Rynersonite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080064 Jahnberg L Acta Chemica Scandinavica 17 (1963) 2548-2559 Crystal structure of orthorhombic CaTa2O6 Locality: synthetic CELL PARAMETERS: 11.1590 7.5310 5.3508 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: 130.7080338 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.88 2.24 5.5795 2 0 0 18.39 100.00 4.8248 1 0 1 21.88 1.65 4.0626 1 1 1 23.03 12.16 3.8619 2 0 1 23.63 84.03 3.7655 0 2 0 28.60 9.16 3.1212 2 2 0 29.24 96.15 3.0542 3 0 1 30.10 92.64 2.9685 1 2 1 31.61 1.24 2.8303 3 1 1 32.08 27.87 2.7898 4 0 0 33.23 6.91 2.6960 2 2 1 33.49 32.95 2.6754 0 0 2 34.47 5.77 2.6017 1 0 2 36.32 2.70 2.4737 4 0 1 37.27 2.10 2.4124 2 0 2 37.93 50.19 2.3720 3 2 1 39.66 1.05 2.2727 0 3 1 40.23 28.16 2.2416 4 2 0 40.51 1.23 2.2269 1 3 1 41.40 20.82 2.1810 0 2 2 41.58 4.38 2.1719 3 0 2 42.22 5.00 2.1405 1 2 2 43.79 1.69 2.0675 4 2 1 43.96 4.58 2.0598 5 0 1 44.61 7.23 2.0313 2 2 2 47.06 19.98 1.9310 4 0 2 48.34 20.43 1.8828 0 4 0 48.38 1.94 1.8814 3 2 2 48.98 4.93 1.8598 6 0 0 50.50 2.99 1.8071 5 2 1 51.92 2.85 1.7612 1 0 3 52.06 1.32 1.7567 6 0 1 52.15 12.16 1.7539 1 4 1 52.62 1.12 1.7394 2 3 2 53.32 31.27 1.7182 4 2 2 53.47 3.73 1.7138 5 0 2 53.97 7.42 1.6989 2 0 3 54.20 1.95 1.6923 2 4 1 55.07 5.93 1.6675 6 2 0 57.29 9.35 1.6083 3 0 3 57.50 26.80 1.6027 3 4 1 57.79 8.65 1.5954 1 2 3 57.91 1.07 1.5924 5 3 1 59.21 10.17 1.5606 4 4 0 59.24 7.21 1.5598 5 2 2 59.71 13.86 1.5486 2 2 3 60.09 11.53 1.5397 0 4 2 60.61 15.09 1.5278 7 0 1 60.64 2.98 1.5271 6 0 2 60.72 3.04 1.5253 1 4 2 61.73 1.24 1.5027 4 0 3 62.83 9.99 1.4790 3 2 3 65.63 1.43 1.4226 3 4 2 65.99 17.25 1.4157 7 2 1 66.02 3.94 1.4152 6 2 2 67.10 2.08 1.3949 8 0 0 67.39 1.74 1.3897 5 4 1 69.76 10.18 1.3480 4 4 2 70.38 1.49 1.3377 0 0 4 70.96 2.81 1.3282 1 0 4 71.27 2.66 1.3231 6 4 0 72.23 3.46 1.3080 8 2 0 73.58 1.65 1.2873 6 0 3 73.65 1.92 1.2862 1 4 3 74.93 2.13 1.2674 5 4 2 75.35 4.53 1.2613 2 4 3 75.41 1.71 1.2605 0 2 4 75.53 1.17 1.2588 3 0 4 75.79 2.07 1.2552 0 6 0 75.97 4.74 1.2526 1 2 4 77.11 1.68 1.2369 8 0 2 78.16 6.00 1.2229 3 4 3 78.53 1.66 1.2181 6 2 3 78.79 4.89 1.2147 1 6 1 79.45 1.34 1.2062 4 0 4 80.44 1.30 1.1938 3 2 4 80.87 2.62 1.1886 7 0 3 81.06 10.55 1.1863 7 4 1 81.08 2.44 1.1860 6 4 2 82.00 3.89 1.1751 8 2 2 83.22 5.26 1.1610 3 6 1 84.31 2.80 1.1487 4 2 4 84.43 1.90 1.1474 5 0 4 84.68 3.56 1.1446 4 6 0 85.44 2.51 1.1363 0 6 2 85.71 4.10 1.1335 7 2 3 86.52 1.05 1.1250 9 0 2 86.92 1.85 1.1208 8 4 0 87.39 1.65 1.1159 10 0 0 89.24 5.76 1.0976 5 2 4 89.98 1.53 1.0905 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.