Hematophanite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070638 Rouse R C Mineralogical Magazine 39 (1973) 49-53 Hematophanite, a derivative of the perovskite structure Locality: Langban, Sweden CELL PARAMETERS: 3.9060 3.9060 15.2840 90.000 90.000 90.000 SPACE GROUP: P4mm ATOM X Y Z OCCUPANCY ISO(B) Pb 0.00000 0.00000 0.00000 1.000 0.420 Pb 0.00000 0.00000 0.23700 1.000 0.950 Pb 0.00000 0.00000 0.50100 1.000 0.560 Pb 0.00000 0.00000 0.74500 1.000 1.100 Fe 0.50000 0.50000 0.36300 1.000 0.500 Fe 0.50000 0.50000 0.61900 1.000 0.500 Fe 0.50000 0.50000 0.87000 1.000 0.500 O 0.50000 0.00000 0.33900 1.000 1.400 O 0.50000 0.50000 0.47800 1.000 0.860 O 0.50000 0.00000 0.60700 1.000 4.000 O 0.50000 0.50000 0.74700 1.000 1.600 O 0.50000 0.00000 0.91500 1.000 0.290 Cl 0.50000 0.50000 0.12100 1.000 2.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 3 +/- 3 +/- 14 MAX. ABS. INTENSITY / VOLUME**2: 369.0529721 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 5.78 4.51 15.2840 0 0 1 22.77 40.00 3.9060 1 0 0 23.28 18.32 3.8210 0 0 4 25.61 1.16 3.4780 1 0 2 32.42 49.08 2.7620 1 1 0 32.79 100.00 2.7314 1 0 4 40.29 27.53 2.2384 1 1 4 46.50 24.20 1.9530 2 0 0 47.60 8.92 1.9105 0 0 8 48.62 1.07 1.8725 1 1 6 52.38 9.09 1.7468 2 1 0 52.63 8.79 1.7390 2 0 4 53.38 8.03 1.7162 1 0 8 58.06 36.22 1.5887 2 1 4 58.77 18.12 1.5712 1 1 8 67.87 6.81 1.3810 2 2 0 68.73 10.64 1.3657 2 0 8 72.61 1.70 1.3020 3 0 0 72.82 3.33 1.2988 2 2 4 73.45 6.14 1.2892 2 1 8 77.24 7.14 1.2352 3 1 0 77.44 7.20 1.2324 3 0 4 79.08 5.94 1.2109 1 0 12 81.98 6.01 1.1753 3 1 4 83.60 1.90 1.1566 1 1 12 87.07 5.27 1.1192 2 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.