Rutherfordine Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R090017 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: 4.8210 9.1810 4.2880 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: 150.9183670 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 19.34 100.00 4.5905 0 2 0 20.81 98.59 4.2683 1 1 0 22.89 81.68 3.8851 0 1 1 27.85 75.50 3.2040 1 0 1 34.13 53.05 2.6273 1 2 1 34.72 17.64 2.5837 1 3 0 36.06 16.54 2.4910 0 3 1 37.30 16.17 2.4105 2 0 0 39.25 17.57 2.2952 0 4 0 42.15 15.48 2.1440 0 0 2 42.35 14.06 2.1342 2 2 0 44.22 45.43 2.0483 2 1 1 46.76 15.40 1.9426 0 2 2 47.45 25.39 1.9159 1 1 2 48.81 23.00 1.8659 1 4 1 52.85 19.14 1.7322 2 3 1 53.39 8.81 1.7160 1 5 0 54.35 8.33 1.6879 0 5 1 55.26 7.43 1.6622 2 4 0 55.71 11.21 1.6499 1 3 2 57.53 7.21 1.6020 2 0 2 58.29 6.32 1.5829 3 1 0 58.95 8.14 1.5668 0 4 2 60.51 4.53 1.5302 0 6 0 61.29 8.09 1.5125 2 2 2 61.64 6.07 1.5048 3 0 1 65.25 7.17 1.4299 3 2 1 65.62 3.27 1.4228 3 3 0 66.17 3.93 1.4123 0 1 3 67.77 11.18 1.3827 2 5 1 67.88 8.81 1.3808 1 6 1 68.47 4.44 1.3704 1 0 3 70.26 7.68 1.3397 1 5 2 71.87 5.68 1.3137 2 4 2 71.90 5.58 1.3131 1 2 3 73.07 2.24 1.2950 0 3 3 73.28 3.29 1.2919 2 6 0 74.51 6.13 1.2735 3 1 2 75.06 2.24 1.2656 1 7 0 75.55 5.21 1.2584 3 4 1 75.85 2.15 1.2542 0 7 1 76.48 3.63 1.2455 0 6 2 78.49 6.34 1.2186 2 1 3 79.21 2.54 1.2093 3 5 0 79.53 1.77 1.2053 4 0 0 81.13 3.84 1.1855 3 3 2 81.87 4.27 1.1766 1 4 3 82.80 2.48 1.1657 4 2 0 84.09 3.70 1.1511 4 1 1 84.40 1.14 1.1476 0 8 0 85.03 4.17 1.1408 2 3 3 86.24 1.92 1.1279 0 5 3 87.72 4.01 1.1126 2 7 1 88.33 3.51 1.1065 2 6 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.