Kryzhanovskite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R090055 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: 9.4650 9.8590 8.1310 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: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 9 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 21.04560213 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.36 1.86 6.1677 1 0 1 16.96 15.39 5.2288 1 1 1 17.99 30.80 4.9295 0 2 0 18.75 33.10 4.7325 2 0 0 20.82 17.30 4.2664 2 1 0 21.86 1.15 4.0655 0 0 2 23.10 17.79 3.8507 1 2 1 26.10 6.20 3.4139 2 2 0 28.35 100.00 3.1477 2 2 1 28.46 2.30 3.1364 0 2 2 28.95 30.70 3.0838 2 0 2 30.01 18.38 2.9772 1 2 2 30.37 3.78 2.9432 2 1 2 30.39 2.14 2.9413 3 0 1 30.83 1.78 2.9003 1 3 1 33.19 16.20 2.6993 2 3 0 34.30 4.99 2.6144 2 2 2 34.42 7.93 2.6056 1 0 3 35.54 2.38 2.5259 3 2 1 35.64 16.82 2.5191 1 1 3 36.41 3.98 2.4674 1 3 2 36.45 1.43 2.4648 0 4 0 37.21 8.88 2.4165 3 1 2 37.88 8.84 2.3750 0 2 3 38.03 3.39 2.3663 4 0 0 38.15 7.17 2.3588 0 4 1 39.10 11.93 2.3036 1 2 3 39.15 1.43 2.3009 4 1 0 39.37 7.27 2.2888 1 4 1 39.39 1.18 2.2877 2 1 3 40.76 10.76 2.2140 4 1 1 41.19 10.73 2.1917 3 3 1 42.59 1.55 2.1227 2 2 3 42.84 1.56 2.1111 2 4 1 42.91 9.25 2.1077 0 4 2 43.88 2.66 2.0634 4 2 1 44.02 5.87 2.0573 1 4 2 44.05 2.29 2.0559 3 0 3 44.57 2.06 2.0327 0 0 4 45.05 2.32 2.0126 3 1 3 45.68 10.01 1.9859 3 3 2 46.62 1.53 1.9482 1 1 4 47.21 3.70 1.9254 2 4 2 47.34 2.48 1.9203 4 3 0 47.54 2.38 1.9126 2 3 3 47.94 12.54 1.8975 3 2 3 48.17 7.13 1.8892 3 4 1 48.17 3.89 1.8890 4 2 2 48.72 1.72 1.8689 4 3 1 48.76 1.60 1.8677 2 0 4 49.43 2.71 1.8437 5 0 1 49.68 2.39 1.8351 2 1 4 50.35 2.79 1.8123 5 1 1 52.50 1.49 1.7429 3 3 3 53.03 2.88 1.7269 5 2 1 54.26 4.91 1.6907 5 1 2 54.50 1.65 1.6837 3 1 4 54.76 2.67 1.6763 4 2 3 56.69 1.39 1.6238 2 3 4 57.19 1.18 1.6106 0 6 1 57.30 3.42 1.6079 5 3 1 57.50 1.11 1.6027 1 0 5 58.09 6.05 1.5878 1 6 1 58.66 2.53 1.5739 4 4 2 58.89 5.33 1.5682 0 4 4 59.33 1.43 1.5577 6 1 0 59.56 2.64 1.5523 2 6 0 59.57 2.43 1.5519 5 0 3 59.80 4.97 1.5464 3 5 2 59.89 3.91 1.5443 0 2 5 60.38 5.08 1.5331 5 1 3 60.74 3.69 1.5247 2 6 1 60.77 4.71 1.5242 1 2 5 60.80 1.72 1.5234 0 6 2 60.80 1.35 1.5234 4 1 4 60.90 1.58 1.5212 5 3 2 61.35 1.14 1.5110 2 5 3 61.67 2.31 1.5041 1 6 2 62.35 7.23 1.4892 4 5 1 62.38 12.88 1.4886 2 4 4 62.96 1.41 1.4764 5 4 1 63.18 2.82 1.4716 4 2 4 63.35 2.59 1.4681 2 2 5 64.01 1.52 1.4546 6 1 2 64.46 1.52 1.4455 3 0 5 65.02 3.43 1.4345 3 6 1 65.24 2.07 1.4302 3 1 5 65.65 1.97 1.4221 6 3 0 66.55 1.27 1.4051 0 6 3 66.64 1.01 1.4033 5 3 3 67.05 1.76 1.3959 4 3 4 69.62 2.62 1.3505 6 1 3 69.65 1.35 1.3499 2 7 0 70.62 2.96 1.3338 7 0 1 70.90 2.36 1.3292 1 1 6 72.28 1.03 1.3072 4 4 4 73.11 1.10 1.2944 1 2 6 73.99 1.25 1.2811 2 7 2 74.00 1.20 1.2809 4 6 2 74.59 2.13 1.2723 7 1 2 77.45 1.14 1.2324 0 8 0 77.87 1.05 1.2267 5 6 1 82.40 1.37 1.1703 1 8 2 86.86 1.01 1.1214 6 5 3 87.58 1.80 1.1141 1 8 3 88.06 1.12 1.1091 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.