Allabogdanite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070012 Britvin S N, Rudashevsky N S, Krivovichev S V, Burns P C, Polekhovsky Y S American Mineralogist 87 (2002) 1245-1249 Allabogdanite, (Fe,Ni)2P, a new mineral from the Onello meteorite: The occurence and crystal structure _database_code_amcsd 0002898 CELL PARAMETERS: 5.7250 3.5380 6.6460 90.000 90.000 90.000 SPACE GROUP: Pnma ATOM X Y Z OCCUPANCY ISO(B) Fe 0.35770 0.25000 0.93570 0.750 0.750 Ni 0.35770 0.25000 0.93570 0.250 0.750 Fe 0.46930 0.25000 0.33240 0.750 0.876 Ni 0.46930 0.25000 0.33240 0.250 0.876 P 0.24430 0.25000 0.62250 1.000 0.561 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 3 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 61.68824740 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 20.48 2.08 4.3376 1 0 1 26.83 1.87 3.3230 0 0 2 28.58 1.01 3.1230 0 1 1 31.12 2.92 2.8740 1 0 2 31.25 1.19 2.8625 2 0 0 32.66 7.21 2.7416 1 1 1 40.44 100.00 2.2307 1 1 2 40.54 49.99 2.2254 2 1 0 41.64 10.70 2.1688 2 0 2 42.86 73.68 2.1102 2 1 1 43.82 31.58 2.0660 1 0 3 48.48 28.42 1.8776 0 1 3 49.28 7.16 1.8490 2 1 2 49.71 24.13 1.8342 3 0 1 51.20 17.30 1.7841 1 1 3 51.67 40.51 1.7690 0 2 0 52.21 10.05 1.7520 2 0 3 55.29 5.41 1.6615 0 0 4 55.53 16.85 1.6549 3 0 2 56.51 4.82 1.6284 3 1 1 57.78 2.96 1.5957 1 0 4 58.82 5.24 1.5700 2 1 3 64.44 1.77 1.4459 3 0 3 66.87 2.60 1.3992 4 0 1 68.44 3.77 1.3708 2 2 2 70.02 11.97 1.3437 1 2 3 71.81 3.74 1.3145 4 0 2 72.67 2.72 1.3011 4 1 1 73.08 2.35 1.2948 1 0 5 74.52 11.31 1.2733 3 2 1 76.53 5.07 1.2448 2 2 3 76.57 6.05 1.2443 0 1 5 77.46 2.48 1.2322 4 1 2 79.07 3.23 1.2111 0 2 4 79.27 9.98 1.2085 3 2 2 79.50 4.16 1.2056 2 0 5 81.18 1.76 1.1849 1 2 4 81.48 13.52 1.1812 3 1 4 85.00 4.01 1.1411 2 1 5 87.04 1.24 1.1195 3 2 3 89.25 1.93 1.0974 4 2 1 89.92 6.50 1.0910 1 3 2 89.98 3.28 1.0904 2 3 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.