Magnetoplumbite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060074 Moore P B, Sen Gupta P K, Le Page Y American Mineralogist 74 (1989) 1186-1194 Magnetoplumbite, PbFe12O19: Refinement and lone-pair splitting Note: Symmetry constraints on U(i,j) for Fe5, O4 and O5 were incorrect, and likely were refined wrong. They have been replaced with their isotropic equivalents. CELL PARAMETERS: 5.9074 5.9074 23.0420 90.000 90.000 120.000 SPACE GROUP: P6_3/mmc ATOM X Y Z OCCUPANCY ISO(B) Pb 0.72000 0.38400 0.25000 0.167 1.533 Fe 0.00000 0.00000 0.00000 1.000 0.487 Fe 0.00000 0.00000 0.25590 0.500 0.616 Fe 0.33333 0.66667 0.02733 1.000 0.416 Fe 0.33333 0.66667 0.19019 1.000 0.513 Fe 0.16870 -0.16870 -0.10881 1.000 0.470 O 0.00000 0.00000 0.15110 1.000 0.634 O 0.33333 0.66667 -0.05460 1.000 0.432 O 0.18390 -0.18390 0.25000 1.000 1.010 O 0.15650 -0.15650 0.05240 1.000 0.470 O 0.50350 -0.50350 0.14990 1.000 0.510 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 4 +/- 21 MAX. ABS. INTENSITY / VOLUME**2: 54.97987474 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.67 14.49 11.5210 0 0 2 15.38 1.59 5.7605 0 0 4 17.76 22.82 4.9943 1 0 1 18.98 17.98 4.6757 1 0 2 20.86 3.88 4.2579 1 0 3 23.16 13.20 3.8403 0 0 6 23.25 5.77 3.8252 1 0 4 26.02 4.32 3.4241 1 0 5 30.26 47.07 2.9537 1 1 0 31.05 17.14 2.8802 0 0 8 31.26 13.70 2.8612 1 1 2 32.34 92.81 2.7682 1 0 7 34.11 100.00 2.6283 1 1 4 35.08 9.34 2.5580 2 0 0 35.30 2.57 2.5424 2 0 1 35.78 3.60 2.5098 1 0 8 37.04 45.97 2.4269 2 0 3 39.35 4.70 2.2895 1 0 9 40.33 28.60 2.2365 2 0 5 42.46 16.11 2.1289 2 0 6 43.05 1.98 2.1009 1 0 10 43.91 1.96 2.0621 1 1 8 46.87 7.10 1.9385 1 0 11 47.17 1.41 1.9269 2 1 1 50.22 4.21 1.8168 1 1 10 50.43 6.93 1.8096 2 0 9 53.53 2.00 1.7120 2 0 10 53.75 6.51 1.7053 3 0 0 54.39 1.48 1.6869 3 0 2 55.08 32.03 1.6673 2 1 7 55.86 6.17 1.6459 0 0 14 56.26 17.44 1.6352 3 0 4 56.81 37.95 1.6207 2 0 11 57.22 4.83 1.6099 1 1 12 57.40 4.07 1.6054 2 1 8 58.95 1.03 1.5668 1 0 14 59.95 1.43 1.5430 2 1 9 60.27 2.20 1.5356 2 0 12 62.73 1.13 1.4812 2 1 10 62.93 33.82 1.4769 2 2 0 63.20 2.36 1.4712 1 0 15 63.90 1.45 1.4569 2 0 13 64.85 1.84 1.4377 1 1 14 65.72 3.43 1.4208 2 1 11 67.69 9.07 1.3841 2 0 14 68.01 1.37 1.3784 2 2 6 71.84 4.71 1.3142 2 2 8 72.55 10.13 1.3030 3 1 7 73.10 2.84 1.2945 1 1 16 74.40 1.35 1.2751 3 0 12 74.55 1.20 1.2728 3 1 8 75.33 3.15 1.2616 4 0 3 76.75 2.28 1.2418 1 0 18 77.44 1.51 1.2324 4 0 5 78.89 1.11 1.2135 4 0 6 79.72 1.47 1.2028 2 1 15 80.13 1.59 1.1977 2 0 17 82.03 1.14 1.1748 3 1 11 82.04 5.55 1.1745 1 1 18 84.00 1.35 1.1521 0 0 20 88.43 1.50 1.1055 3 2 7 88.96 1.13 1.1003 3 0 16 89.07 6.08 1.0992 2 2 14 89.40 1.90 1.0960 4 1 4 89.86 6.45 1.0916 4 0 11 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.