CELL 15.4450 13.5940 16.5660 90.000 90.000 90.000 Space group Pbca SYMM X, Y, Z SYMM 1/2-X, -Y, 1/2+Z SYMM -X, 1/2+Y, 1/2-Z SYMM 1/2+X, 1/2-Y, -Z SYMM -X, -Y, -Z SYMM 1/2+X, Y, 1/2-Z SYMM X, 1/2-Y, 1/2+Z SYMM 1/2-X, 1/2+Y, Z Heavy Atoms: 8 Fe ions per unit cell Unique Patterson peaks: N X Y Z Height Distance 1 0.0000 0.0000 0.0000 999.00 0.000 2 0.5000 0.0000 0.0000 683.85 7.722 3 0.0000 0.9596 0.5000 254.69 8.301 4 0.2126 0.5000 0.0000 253.59 7.549 5 0.2876 0.5000 0.0000 244.96 8.119 6 0.5000 0.0416 0.5000 242.50 11.339 7 0.2089 0.5414 0.5000 198.57 10.857 8 0.7094 0.5436 0.5000 184.96 11.280 9 0.9174 0.9146 0.0000 94.79 1.725 10 0.4007 0.0961 0.0000 93.98 6.325 11 0.5573 0.0742 0.9215 82.95 7.032 12 0.0499 0.0701 0.0723 82.82 1.714 13 0.5000 0.0000 0.2875 74.04 9.073 14 0.1341 0.4057 0.0000 69.38 5.892 15 0.3049 0.0000 0.0907 67.06 4.943 16 0.8773 0.6324 0.5000 66.47 9.858 17 0.2533 0.3849 0.4216 66.05 9.563 18 0.1982 0.0000 0.9053 65.58 3.439 19 0.8915 0.5000 0.0000 61.66 7.001 20 0.3663 0.5957 0.0000 59.24 7.887 21 0.8445 0.4216 0.0834 59.03 6.365 22 0.0000 0.0000 0.6919 57.55 5.105 23 0.0000 0.1510 0.5000 57.45 8.534 24 0.3812 0.6295 0.5000 56.51 11.342 25 0.7494 0.4578 0.8217 55.81 7.902 26 0.9158 0.5000 0.6165 53.22 9.394 27 0.2505 0.4408 0.9128 52.87 7.277 28 0.3972 0.9538 0.5000 51.72 10.327 29 0.3407 0.4227 0.0848 51.70 7.917 30 0.5000 0.0000 0.8055 50.46 8.368 31 0.5882 0.5000 0.3849 50.43 11.284 32 0.0510 0.9644 0.5840 49.07 6.953 33 0.8508 0.5324 0.5760 46.35 9.749 34 0.4492 0.0362 0.4155 46.11 9.785 35 0.8997 0.9549 0.5000 45.14 8.449 36 0.9171 0.8753 0.5000 44.69 8.551 37 0.4186 0.8733 0.5000 44.15 10.648 38 0.0000 0.9867 0.8180 43.16 3.020 39 0.6530 0.0939 0.9574 42.90 5.554 40 0.5000 0.0000 0.8979 41.73 7.905