Rutherfordine Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R090018 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: 4.8360 9.2570 4.2980 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: 149.8056928 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 19.18 100.00 4.6285 0 2 0 20.72 97.61 4.2863 1 1 0 22.81 80.74 3.8983 0 1 1 27.77 74.55 3.2126 1 0 1 33.97 52.65 2.6392 1 2 1 34.48 17.59 2.6013 1 3 0 35.82 16.48 2.5066 0 3 1 37.18 16.00 2.4180 2 0 0 38.92 17.69 2.3142 0 4 0 42.04 15.29 2.1490 0 0 2 42.16 13.95 2.1432 2 2 0 44.07 45.02 2.0548 2 1 1 46.60 15.27 1.9492 0 2 2 47.32 25.12 1.9211 1 1 2 48.48 23.03 1.8778 1 4 1 52.59 19.07 1.7403 2 3 1 52.96 8.87 1.7290 1 5 0 53.92 8.38 1.7004 0 5 1 54.92 7.43 1.6719 2 4 0 55.46 11.14 1.6568 1 3 2 57.36 7.14 1.6063 2 0 2 58.08 6.27 1.5881 3 1 0 58.62 8.14 1.5748 0 4 2 59.96 4.59 1.5428 0 6 0 61.06 8.02 1.5175 2 2 2 61.43 6.02 1.5093 3 0 1 64.99 7.11 1.4350 3 2 1 65.31 3.25 1.4288 3 3 0 65.98 3.89 1.4158 0 1 3 67.32 11.23 1.3909 2 5 1 67.33 8.88 1.3908 1 6 1 68.28 4.40 1.3737 1 0 3 69.82 7.69 1.3471 1 5 2 71.50 5.66 1.3196 2 4 2 71.66 5.53 1.3169 1 2 3 72.70 3.31 1.3006 2 6 0 72.78 2.22 1.2994 0 3 3 74.26 6.08 1.2772 3 1 2 74.37 2.26 1.2756 1 7 0 75.15 5.19 1.2642 3 4 1 75.17 2.17 1.2640 0 7 1 75.92 3.65 1.2533 0 6 2 78.25 6.28 1.2218 2 1 3 78.71 2.54 1.2157 3 5 0 79.23 1.76 1.2090 4 0 0 80.77 3.81 1.1898 3 3 2 81.48 4.24 1.1812 1 4 3 82.45 2.46 1.1698 4 2 0 83.55 1.15 1.1571 0 8 0 83.77 3.67 1.1547 4 1 1 84.68 4.13 1.1446 2 3 3 85.75 1.91 1.1330 0 5 3 86.98 4.02 1.1201 2 7 1 87.71 3.50 1.1127 2 6 2 89.31 3.03 1.0969 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.