Rutherfordine Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100018 Finch R J, Cooper M A, Hawthorne F C, Ewing R C The Canadian Mineralogist 37 (1999) 929-938 Refinement of the crystal structure of rutherfordine CELL PARAMETERS: 4.8310 9.1910 4.2937 90.000 90.000 90.000 SPACE GROUP: Imm2 ATOM X Y Z OCCUPANCY ISO(B) U 0.00000 0.00000 0.00000 1.000 1.166 C 0.50000 0.00000 0.38640 1.000 1.321 O 0.00000 -0.18800 -0.00490 1.000 2.240 O 0.26380 0.00000 0.50660 1.000 1.834 O 0.50000 0.00000 0.07950 1.000 3.087 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 8 +/- 3 MAX. ABS. INTENSITY / VOLUME**2: 149.9645734 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 19.31 100.00 4.5955 0 2 0 20.77 98.77 4.2763 1 1 0 22.86 81.73 3.8901 0 1 1 27.80 75.64 3.2093 1 0 1 34.07 53.13 2.6312 1 2 1 34.67 17.66 2.5873 1 3 0 36.01 16.54 2.4939 0 3 1 37.22 16.23 2.4155 2 0 0 39.21 17.59 2.2977 0 4 0 42.09 15.51 2.1469 0 0 2 42.27 14.10 2.1381 2 2 0 44.13 45.60 2.0521 2 1 1 46.70 15.43 1.9451 0 2 2 47.38 25.45 1.9186 1 1 2 48.74 23.04 1.8683 1 4 1 52.76 19.20 1.7351 2 3 1 53.32 8.82 1.7180 1 5 0 54.29 8.34 1.6899 0 5 1 55.17 7.45 1.6648 2 4 0 55.63 11.23 1.6521 1 3 2 57.43 7.24 1.6047 2 0 2 58.16 6.35 1.5862 3 1 0 58.87 8.16 1.5687 0 4 2 60.43 4.54 1.5318 0 6 0 61.18 8.11 1.5150 2 2 2 61.50 6.10 1.5078 3 0 1 65.11 7.20 1.4326 3 2 1 65.48 3.28 1.4254 3 3 0 66.07 3.94 1.4142 0 1 3 67.66 11.22 1.3846 2 5 1 67.79 8.83 1.3824 1 6 1 68.36 4.46 1.3723 1 0 3 70.16 7.69 1.3414 1 5 2 71.74 5.70 1.3156 2 4 2 71.79 5.60 1.3149 1 2 3 72.96 2.24 1.2967 0 3 3 73.16 3.30 1.2936 2 6 0 74.36 6.16 1.2757 3 1 2 74.95 2.24 1.2670 1 7 0 75.40 5.23 1.2606 3 4 1 75.76 2.15 1.2556 0 7 1 76.38 3.64 1.2470 0 6 2 78.35 6.36 1.2204 2 1 3 79.06 2.55 1.2113 3 5 0 79.33 1.78 1.2077 4 0 0 80.96 3.85 1.1875 3 3 2 81.74 4.28 1.1782 1 4 3 82.60 2.49 1.1681 4 2 0 83.88 3.72 1.1534 4 1 1 84.29 1.14 1.1489 0 8 0 84.87 4.18 1.1425 2 3 3 86.10 1.92 1.1293 0 5 3 87.57 4.02 1.1141 2 7 1 88.18 3.52 1.1080 2 6 2 89.90 3.03 1.0912 1 7 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.