Srebrodolskite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130096 Kahlenberg V, Fischer R X European Journal of Mineralogy 12 (2000) 129-135 Crystal growth and cation distribution in doped dicalcium ferrite Ca2(Fe1-xMex)2O5 (Me=Al,Ga) Sample: Me = Al _database_code_amcsd 0006826 CELL PARAMETERS: 5.4330 14.7810 5.6060 90.000 90.000 90.000 SPACE GROUP: Pnma ATOM X Y Z OCCUPANCY ISO(B) Fe 0.50000 0.50000 0.50000 1.000 0.253 Fe 0.55320 0.25000 0.43280 0.865 0.166 Al 0.55320 0.25000 0.43280 0.135 0.166 Ca 0.51770 0.39190 0.97620 1.000 0.395 O 0.47680 0.35880 0.57200 1.000 0.521 O 0.39920 0.25000 0.12770 1.000 0.403 O 0.73860 0.51560 0.76120 1.000 0.347 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 13 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 33.71174248 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.98 16.00 7.3905 0 2 0 16.91 4.76 5.2417 0 1 1 22.79 12.70 3.9014 1 0 1 23.58 2.54 3.7722 1 1 1 24.05 10.85 3.7008 0 3 1 24.08 8.45 3.6953 0 4 0 29.20 7.60 3.0586 1 3 1 31.93 35.80 2.8030 0 0 2 32.97 43.66 2.7165 2 0 0 33.40 100.00 2.6829 1 4 1 33.54 1.12 2.6718 2 1 0 34.29 10.00 2.6149 0 5 1 36.06 2.25 2.4910 1 0 2 36.58 1.66 2.4564 1 1 2 38.12 1.15 2.3605 1 2 2 38.20 3.02 2.3562 1 5 1 41.22 5.69 2.1899 2 3 1 43.44 15.60 2.0830 1 6 1 46.56 39.57 1.9507 2 0 2 46.98 1.58 1.9339 2 1 2 47.74 2.99 1.9049 1 5 2 48.25 8.12 1.8861 2 2 2 49.24 1.05 1.8504 0 6 2 49.32 18.40 1.8476 0 8 0 49.98 1.39 1.8249 2 6 0 52.36 7.96 1.7472 0 3 3 54.99 4.01 1.6698 1 8 1 56.58 6.01 1.6267 3 3 1 57.19 2.23 1.6107 1 7 2 57.84 17.81 1.5942 1 4 3 58.43 2.90 1.5796 0 5 3 59.16 15.12 1.5618 3 4 1 59.97 7.25 1.5426 0 8 2 60.61 8.99 1.5277 2 8 0 60.90 1.32 1.5211 3 0 2 62.32 1.75 1.4899 3 2 2 62.37 2.96 1.4888 3 5 1 63.28 3.87 1.4695 2 3 3 64.95 3.84 1.4359 1 6 3 66.18 3.98 1.4121 3 6 1 66.74 2.05 1.4015 0 0 4 67.80 2.43 1.3822 1 10 1 68.09 3.43 1.3770 0 2 4 68.75 3.63 1.3655 2 5 3 69.16 3.75 1.3583 4 0 0 69.57 1.75 1.3514 1 1 4 70.16 12.08 1.3414 2 8 2 70.49 1.84 1.3359 4 2 0 76.48 1.21 1.2455 2 0 4 77.37 1.33 1.2333 1 5 4 77.76 1.10 1.2282 2 2 4 77.87 4.66 1.2267 3 4 3 78.20 2.45 1.2223 4 0 2 81.74 2.54 1.1781 2 10 2 82.04 3.61 1.1746 1 12 1 84.18 2.27 1.1501 3 6 3 84.95 2.25 1.1416 1 7 4 87.33 1.07 1.1166 0 8 4 89.57 2.09 1.0944 4 8 0 89.93 1.21 1.0910 0 11 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.