Kryzhanovskite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060927 Moore P B, Araki T, Kampf A R Mineralogical Magazine 43 (1980) 789-795 Nomenclature of the phosphoferrite structure type: refinements of landesite and kryzhanovskite CELL PARAMETERS: 9.4450 9.8750 8.1490 90.000 90.000 90.000 SPACE GROUP: Pbna ATOM X Y Z OCCUPANCY ISO(B) Mn 0.05105 0.11205 0.63602 0.500 1.400 Fe 0.05105 0.11205 0.63602 0.500 1.400 Fe 0.00000 0.00000 0.00000 1.000 1.160 P 0.20931 0.10344 0.28853 1.000 0.620 O 0.21310 0.25410 0.32910 1.000 0.990 O 0.11190 0.03200 0.41280 1.000 0.970 O 0.36140 0.04460 0.30330 1.000 1.090 O 0.15730 0.08400 0.11480 1.000 1.150 Wa -0.06720 0.25000 0.50000 1.000 1.680 Wa -0.03030 0.33890 0.13580 1.000 1.260 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 9 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 20.97669338 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.36 1.87 6.1700 1 0 1 16.94 15.41 5.2326 1 1 1 17.97 30.92 4.9375 0 2 0 18.79 32.93 4.7225 2 0 0 20.85 17.23 4.2604 2 1 0 21.81 1.16 4.0745 0 0 2 23.07 17.84 3.8551 1 2 1 26.11 6.20 3.4128 2 2 0 28.35 100.00 3.1479 2 2 1 28.40 2.31 3.1426 0 2 2 28.94 30.73 3.0850 2 0 2 29.97 18.46 2.9819 1 2 2 30.35 3.78 2.9446 2 1 2 30.44 2.13 2.9368 3 0 1 30.79 1.78 2.9042 1 3 1 33.18 16.21 2.7004 2 3 0 34.27 5.00 2.6163 2 2 2 34.35 7.97 2.6105 1 0 3 35.57 2.38 2.5240 3 2 1 35.57 16.92 2.5238 1 1 3 36.35 4.00 2.4713 1 3 2 36.39 1.44 2.4688 0 4 0 37.22 8.86 2.4156 3 1 2 37.80 8.90 2.3800 0 2 3 38.09 7.21 2.3627 0 4 1 38.11 3.37 2.3612 4 0 0 39.03 12.00 2.3078 1 2 3 39.23 1.41 2.2965 4 1 0 39.31 7.30 2.2921 1 4 1 39.34 1.18 2.2904 2 1 3 40.82 10.70 2.2104 4 1 1 41.19 10.72 2.1914 3 3 1 42.54 1.55 2.1253 2 2 3 42.80 1.56 2.1130 2 4 1 42.83 9.31 2.1114 0 4 2 43.93 2.64 2.0609 4 2 1 43.94 5.90 2.0606 1 4 2 44.03 2.29 2.0566 3 0 3 44.47 2.08 2.0373 0 0 4 45.03 2.33 2.0134 3 1 3 45.67 10.02 1.9865 3 3 2 46.52 1.54 1.9522 1 1 4 47.15 3.72 1.9275 2 4 2 47.38 2.47 1.9187 4 3 0 47.48 2.39 1.9151 2 3 3 47.92 12.56 1.8985 3 2 3 48.15 7.14 1.8897 3 4 1 48.21 3.88 1.8878 4 2 2 48.68 1.61 1.8706 2 0 4 48.76 1.71 1.8676 4 3 1 49.53 2.69 1.8402 5 0 1 49.60 2.41 1.8379 2 1 4 50.45 2.77 1.8091 5 1 1 52.46 1.49 1.7442 3 3 3 53.11 2.86 1.7243 5 2 1 54.33 4.88 1.6885 5 1 2 54.44 1.65 1.6853 3 1 4 54.76 2.67 1.6762 4 2 3 56.59 1.40 1.6263 2 3 4 57.09 1.19 1.6133 0 6 1 57.36 3.40 1.6062 5 3 1 57.37 1.12 1.6061 1 0 5 58.00 6.08 1.5902 1 6 1 58.66 2.53 1.5739 4 4 2 58.76 5.38 1.5713 0 4 4 59.46 1.42 1.5545 6 1 0 59.48 2.66 1.5542 2 6 0 59.62 2.42 1.5509 5 0 3 59.75 3.94 1.5477 0 2 5 59.75 4.98 1.5477 3 5 2 60.42 5.06 1.5321 5 1 3 60.63 4.75 1.5273 1 2 5 60.66 3.71 1.5266 2 6 1 60.69 1.73 1.5260 0 6 2 60.78 1.35 1.5240 4 1 4 60.95 1.57 1.5201 5 3 2 61.26 1.15 1.5132 2 5 3 61.56 2.32 1.5065 1 6 2 62.27 12.97 1.4909 2 4 4 62.34 7.23 1.4894 4 5 1 63.00 1.41 1.4754 5 4 1 63.15 2.83 1.4723 4 2 4 63.23 2.61 1.4707 2 2 5 64.12 1.51 1.4524 6 1 2 64.37 1.52 1.4474 3 0 5 64.95 3.44 1.4357 3 6 1 65.14 2.08 1.4321 3 1 5 65.76 1.96 1.4201 6 3 0 66.42 1.28 1.4076 0 6 3 66.67 1.01 1.4029 5 3 3 67.00 1.76 1.3967 4 3 4 69.55 1.36 1.3517 2 7 0 69.69 2.61 1.3492 6 1 3 70.72 2.38 1.3321 1 1 6 70.78 2.93 1.3312 7 0 1 72.22 1.03 1.3081 4 4 4 72.93 1.11 1.2971 1 2 6 73.87 1.26 1.2829 2 7 2 73.95 1.20 1.2817 4 6 2 74.73 2.12 1.2702 7 1 2 77.30 1.15 1.2344 0 8 0 77.87 1.05 1.2268 5 6 1 82.24 1.38 1.1722 1 8 2 86.88 1.01 1.1212 6 5 3 87.39 1.82 1.1159 1 8 3 87.85 1.12 1.1113 1 5 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.