Minyulite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100072 Kampf A R American Mineralogist 62 (1977) 256-262 Minyulite: its atomic arrangement AMCSD#0000562 CELL PARAMETERS: 9.3270 9.7190 5.5060 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 1.672 Al 0.35910 0.11050 0.95450 1.000 0.609 P 0.14700 0.32430 0.20400 1.000 0.577 O 0.48320 0.17890 0.17980 1.000 0.834 O 0.20750 0.46580 0.13820 1.000 0.940 O 0.20750 0.21680 0.03100 1.000 0.916 O 0.18500 0.29180 0.46750 1.000 1.074 O 0.23830 0.04290 0.67930 1.000 1.058 O 0.42850 0.25110 0.72020 1.000 1.033 F 0.00000 0.50000 0.82170 1.000 0.823 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: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 8.714921613 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.16 45.87 6.7295 1 1 0 16.10 100.00 5.5060 0 0 1 18.26 3.68 4.8595 0 2 0 19.03 5.26 4.6635 2 0 0 20.85 3.12 4.2614 1 1 1 21.13 6.17 4.2045 2 1 0 24.43 25.71 3.6434 0 2 1 25.02 7.72 3.5586 2 0 1 26.26 52.70 3.3937 1 2 1 26.68 62.12 3.3416 2 1 1 29.18 29.91 3.0603 1 3 0 30.18 18.63 2.9612 3 1 0 31.15 12.09 2.8711 2 2 1 32.52 9.34 2.7530 0 0 2 33.50 27.97 2.6749 1 3 1 33.69 3.16 2.6607 2 3 0 34.39 24.76 2.6079 3 1 1 35.22 7.96 2.5480 1 1 2 37.00 5.98 2.4297 0 4 0 37.54 6.83 2.3956 2 3 1 37.55 1.88 2.3953 0 2 2 37.95 3.51 2.3707 2 0 2 38.05 1.35 2.3650 3 2 1 38.28 5.33 2.3513 1 4 0 38.61 1.09 2.3317 4 0 0 38.82 9.47 2.3200 1 2 2 39.11 2.77 2.3032 2 1 2 39.75 16.47 2.2674 4 1 0 40.58 2.59 2.2229 0 4 1 41.77 4.19 2.1624 1 4 1 42.08 1.15 2.1471 4 0 1 42.42 29.91 2.1307 2 2 2 43.03 7.81 2.1023 4 2 0 43.15 1.15 2.0966 4 1 1 43.57 3.75 2.0774 3 3 1 44.25 2.77 2.0467 1 3 2 44.96 7.25 2.0162 3 1 2 45.19 5.01 2.0066 2 4 1 46.22 1.11 1.9640 4 2 1 47.53 10.67 1.9132 2 3 2 47.94 2.42 1.8975 3 2 2 48.08 3.16 1.8925 4 3 0 50.07 1.02 1.8217 0 4 2 50.47 4.87 1.8083 3 4 1 50.76 5.19 1.7985 1 5 1 51.08 1.17 1.7879 1 4 2 51.35 1.11 1.7793 4 0 2 51.62 5.52 1.7707 1 1 3 52.27 2.37 1.7502 4 1 2 52.63 3.94 1.7390 3 3 2 52.65 1.10 1.7383 5 1 1 53.36 1.20 1.7170 0 2 3 54.04 1.45 1.6968 2 4 2 54.33 7.69 1.6886 1 2 3 54.55 6.87 1.6824 4 4 0 54.56 4.38 1.6821 2 1 3 54.96 1.13 1.6708 4 2 2 55.33 3.93 1.6604 5 2 1 57.26 6.85 1.6089 4 4 1 58.45 3.56 1.5790 3 5 1 58.65 1.41 1.5740 1 3 3 59.01 7.07 1.5654 1 5 2 59.23 1.52 1.5600 3 1 3 59.46 2.21 1.5545 6 0 0 59.48 3.56 1.5540 0 6 1 60.39 1.25 1.5329 1 6 1 60.73 1.82 1.5251 5 1 2 61.37 1.36 1.5108 2 3 3 61.71 2.88 1.5031 2 5 2 62.04 3.89 1.4960 6 0 1 62.80 1.86 1.4796 5 4 0 63.06 1.57 1.4743 2 6 1 63.18 6.15 1.4718 5 2 2 63.53 2.57 1.4645 0 4 3 64.63 1.54 1.4422 4 0 3 64.96 1.52 1.4355 4 4 2 65.26 2.78 1.4298 6 2 1 65.30 4.12 1.4289 5 4 1 65.42 1.05 1.4266 4 1 3 65.74 2.36 1.4205 3 3 3 68.12 3.19 1.3765 0 0 4 70.20 4.31 1.3407 6 1 2 70.81 3.43 1.3307 2 7 0 71.41 4.77 1.3210 1 5 3 72.97 2.89 1.2966 5 1 3 73.17 1.34 1.2935 2 7 1 73.19 1.73 1.2931 4 6 1 74.47 2.27 1.2740 2 2 4 75.21 1.36 1.2633 5 2 3 75.77 3.12 1.2554 1 3 4 76.28 1.89 1.2482 3 1 4 77.22 1.23 1.2354 3 7 1 77.45 2.41 1.2323 7 3 0 78.15 1.21 1.2231 5 6 0 78.81 1.14 1.2145 0 6 3 79.60 1.08 1.2043 1 6 3 79.75 4.63 1.2025 7 3 1 80.12 1.24 1.1978 4 6 2 80.93 2.16 1.1879 1 4 4 81.06 1.66 1.1863 0 8 1 81.85 2.38 1.1769 1 8 1 82.79 1.16 1.1659 4 7 1 84.02 1.41 1.1519 5 4 3 86.84 1.00 1.1216 6 6 0 87.83 1.18 1.1115 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.