Minyulite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R070151 Kampf A R American Mineralogist 62 (1977) 256-262 Minyulite: its atomic arrangement CELL PARAMETERS: 9.3370 9.7320 5.5160 90.000 90.000 90.000 SPACE GROUP: Pba2 ATOM X Y Z OCCUPANCY ISO(B) K 0.00000 0.00000 0.00000 1.000 1.677 Al 0.35910 0.11050 0.95450 1.000 0.611 P 0.14700 0.32430 0.20400 1.000 0.579 O 0.48320 0.17890 0.17980 1.000 0.836 O 0.20750 0.46580 0.13820 1.000 0.943 O 0.20750 0.21680 0.03100 1.000 0.919 O 0.18500 0.29180 0.46750 1.000 1.077 O 0.23830 0.04290 0.67930 1.000 1.061 O 0.42850 0.25110 0.72020 1.000 1.035 F 0.00000 0.50000 0.82170 1.000 0.825 H 0.22600 0.11000 0.59600 1.000 1.000 H 0.23400 0.48600 0.59700 1.000 1.000 H 0.35200 0.26300 0.60600 1.000 1.000 H 0.00200 0.28100 0.60800 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 8.679172856 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.14 45.80 6.7376 1 1 0 16.07 100.00 5.5160 0 0 1 18.23 3.68 4.8660 0 2 0 19.01 5.25 4.6685 2 0 0 20.81 3.12 4.2681 1 1 1 21.11 6.16 4.2092 2 1 0 24.39 25.70 3.6491 0 2 1 24.99 7.72 3.5635 2 0 1 26.22 52.70 3.3987 1 2 1 26.64 62.10 3.3462 2 1 1 29.14 29.90 3.0643 1 3 0 30.15 18.61 2.9644 3 1 0 31.11 12.09 2.8750 2 2 1 32.46 9.36 2.7580 0 0 2 33.45 27.97 2.6787 1 3 1 33.64 3.16 2.6640 2 3 0 34.34 24.74 2.6112 3 1 1 35.16 7.97 2.5524 1 1 2 36.95 5.98 2.4330 0 4 0 37.48 1.88 2.3994 0 2 2 37.49 6.83 2.3989 2 3 1 37.89 3.51 2.3746 2 0 2 38.00 1.35 2.3680 3 2 1 38.23 5.33 2.3544 1 4 0 38.57 1.09 2.3342 4 0 0 38.75 9.48 2.3239 1 2 2 39.05 2.76 2.3069 2 1 2 39.71 16.47 2.2699 4 1 0 40.52 2.59 2.2261 0 4 1 41.71 4.19 2.1654 1 4 1 42.03 1.15 2.1497 4 0 1 42.35 29.96 2.1340 2 2 2 42.97 7.81 2.1046 4 2 0 43.09 1.15 2.0991 4 1 1 43.51 3.76 2.0801 3 3 1 44.18 2.77 2.0500 1 3 2 44.89 7.26 2.0192 3 1 2 45.12 5.02 2.0093 2 4 1 46.16 1.12 1.9664 4 2 1 47.45 10.68 1.9161 2 3 2 47.87 2.43 1.9003 3 2 2 48.02 3.16 1.8947 4 3 0 49.99 1.02 1.8245 0 4 2 50.40 4.88 1.8106 3 4 1 50.69 5.19 1.8010 1 5 1 51.00 1.17 1.7907 1 4 2 51.27 1.11 1.7818 4 0 2 51.52 5.53 1.7738 1 1 3 52.19 2.37 1.7526 4 1 2 52.55 3.95 1.7415 3 3 2 52.59 1.10 1.7403 5 1 1 53.26 1.21 1.7200 0 2 3 53.96 1.45 1.6994 2 4 2 54.23 7.70 1.6915 1 2 3 54.46 4.39 1.6849 2 1 3 54.48 6.87 1.6844 4 4 0 54.87 1.13 1.6731 4 2 2 55.26 3.93 1.6624 5 2 1 57.18 6.85 1.6110 4 4 1 58.37 3.56 1.5810 3 5 1 58.55 1.41 1.5766 1 3 3 58.91 7.08 1.5677 1 5 2 59.13 1.52 1.5625 3 1 3 59.39 2.21 1.5562 6 0 0 59.39 3.56 1.5561 0 6 1 60.30 1.25 1.5349 1 6 1 60.64 1.82 1.5271 5 1 2 61.25 1.36 1.5132 2 3 3 61.61 2.88 1.5053 2 5 2 61.96 3.89 1.4977 6 0 1 62.72 1.86 1.4814 5 4 0 62.96 1.57 1.4763 2 6 1 63.08 6.15 1.4737 5 2 2 63.41 2.57 1.4669 0 4 3 64.52 1.54 1.4444 4 0 3 64.86 1.53 1.4375 4 4 2 65.17 2.78 1.4314 6 2 1 65.21 4.12 1.4307 5 4 1 65.31 1.05 1.4287 4 1 3 65.62 2.36 1.4227 3 3 3 67.98 3.20 1.3790 0 0 4 70.10 4.32 1.3424 6 1 2 70.70 3.43 1.3325 2 7 0 71.28 4.78 1.3231 1 5 3 72.84 2.90 1.2985 5 1 3 73.06 1.33 1.2952 2 7 1 73.08 1.73 1.2948 4 6 1 74.32 2.27 1.2762 2 2 4 75.09 1.36 1.2651 5 2 3 75.62 3.12 1.2575 1 3 4 76.13 1.89 1.2503 3 1 4 77.10 1.23 1.2371 3 7 1 77.35 2.41 1.2336 7 3 0 78.03 1.21 1.2246 5 6 0 78.66 1.14 1.2164 0 6 3 79.46 1.09 1.2062 1 6 3 79.64 4.63 1.2039 7 3 1 79.99 1.24 1.1994 4 6 2 80.76 2.16 1.1899 1 4 4 80.92 1.66 1.1880 0 8 1 81.71 2.38 1.1785 1 8 1 82.66 1.16 1.1674 4 7 1 83.87 1.41 1.1536 5 4 3 86.71 1.00 1.1229 6 6 0 87.68 1.18 1.1130 0 8 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.