Orientite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060936 Moore P B, Shen J, Araki T American Mineralogist 70 (1985) 171-181 Crystal chemistry of the (M2)3+ phi2 sheet: Structural principles and crystal structures of ruizite, macfallite and orientite CELL PARAMETERS: 8.9990 19.0080 6.0860 90.000 90.000 90.000 SPACE GROUP: Bbmm ATOM X Y Z OCCUPANCY ISO(B) Mn 0.25000 0.00000 0.25000 1.000 0.700 Mn 0.45490 0.25000 0.24990 0.500 0.700 Ca 0.69780 0.15850 0.00000 1.000 1.300 Si 0.10570 0.25000 0.00000 0.500 0.500 O 0.98330 0.18080 0.00000 1.000 1.000 O 0.20490 0.25000 0.22450 1.000 1.000 Si 0.03010 0.09700 0.00000 1.000 0.500 O 0.12940 0.08120 0.21640 1.000 1.000 O 0.87290 0.05840 0.00000 1.000 1.000 OH 0.36770 0.03080 0.00000 1.000 1.000 OH 0.43250 0.17660 0.00000 0.500 1.000 OH 0.43250 0.17660 0.00000 0.500 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 17 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 7.287639542 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.31 65.18 9.5040 0 2 0 17.59 61.60 5.0413 1 0 1 18.21 35.21 4.8729 1 1 1 18.67 48.91 4.7520 0 4 0 19.73 16.96 4.4995 2 0 0 20.28 23.87 4.3785 2 1 0 21.85 93.59 4.0668 2 2 0 22.54 2.26 3.9450 1 3 1 24.26 11.95 3.6686 2 3 0 25.76 9.05 3.4579 1 4 1 27.30 33.17 3.2672 2 4 0 29.43 48.08 3.0353 1 5 1 30.79 7.65 2.9039 2 5 0 30.85 9.11 2.8981 0 2 2 33.30 31.95 2.6906 3 0 1 33.41 44.30 2.6823 1 6 1 33.64 19.68 2.6640 3 1 1 34.63 74.04 2.5904 2 6 0 34.65 1.16 2.5889 3 2 1 35.02 100.00 2.5626 0 4 2 35.62 25.91 2.5207 2 0 2 36.27 2.25 2.4766 3 3 1 36.89 63.71 2.4364 2 2 2 37.62 11.12 2.3907 1 7 1 37.87 7.12 2.3760 0 8 0 38.43 26.40 2.3421 2 3 2 38.45 14.94 2.3413 3 4 1 38.73 8.73 2.3249 2 7 0 40.08 5.81 2.2497 4 0 0 40.37 23.34 2.2342 4 1 0 40.51 15.85 2.2268 2 4 2 41.10 2.69 2.1962 3 5 1 41.13 6.80 2.1946 0 6 2 42.65 9.95 2.1201 4 3 0 43.05 10.37 2.1011 2 8 0 43.06 15.82 2.1008 2 5 2 44.16 12.30 2.0508 3 6 1 44.56 6.51 2.0334 4 4 0 46.01 4.51 1.9725 2 6 2 46.11 8.42 1.9684 1 1 3 47.56 2.97 1.9119 2 9 0 48.17 1.11 1.8890 1 3 3 48.62 29.34 1.8727 0 8 2 49.33 3.84 1.8474 2 7 2 49.71 14.03 1.8343 4 6 0 50.45 3.27 1.8090 4 0 2 51.37 4.63 1.7786 1 10 1 51.42 8.91 1.7771 4 2 2 52.10 2.53 1.7554 1 5 3 52.61 1.44 1.7395 4 3 2 52.96 4.71 1.7290 2 8 2 54.26 55.38 1.6907 4 4 2 54.61 11.81 1.6804 3 0 3 54.69 3.67 1.6784 1 6 3 54.84 3.62 1.6739 3 1 3 55.16 1.76 1.6652 5 3 1 56.28 6.15 1.6346 1 11 1 56.32 11.41 1.6336 4 8 0 56.32 24.71 1.6335 4 5 2 56.88 3.79 1.6189 2 9 2 57.10 1.73 1.6131 2 11 0 57.14 3.16 1.6121 0 10 2 58.23 4.10 1.5843 3 4 3 58.25 20.64 1.5840 0 12 0 58.78 7.25 1.5709 4 6 2 60.09 3.26 1.5398 4 9 0 60.89 31.13 1.5215 0 0 4 61.06 35.74 1.5177 2 10 2 61.15 1.07 1.5156 5 6 1 61.60 18.60 1.5055 4 7 2 62.12 1.93 1.4941 2 12 0 62.71 2.28 1.4815 6 2 0 63.77 2.16 1.4595 6 3 0 63.91 1.11 1.4566 5 7 1 64.14 4.37 1.4519 4 10 0 64.28 2.47 1.4490 0 4 4 64.77 14.21 1.4393 4 8 2 65.23 5.87 1.4303 6 4 0 65.50 6.76 1.4250 2 2 4 66.55 3.56 1.4050 0 12 2 67.09 1.05 1.3952 6 5 0 67.96 2.98 1.3793 2 4 4 68.44 1.43 1.3709 1 10 3 68.46 5.20 1.3704 4 11 0 68.77 1.37 1.3650 3 12 1 69.32 1.44 1.3556 6 6 0 69.78 1.37 1.3477 2 5 4 69.93 5.01 1.3453 6 0 2 70.13 5.38 1.3419 6 1 2 70.17 2.81 1.3412 2 12 2 70.67 1.24 1.3330 5 2 3 70.73 4.06 1.3320 6 2 2 71.66 2.23 1.3169 5 3 3 71.72 5.35 1.3160 6 3 2 71.98 15.13 1.3119 2 6 4 72.64 4.17 1.3016 1 11 3 72.75 7.20 1.2998 2 14 0 73.06 3.53 1.2952 4 12 0 73.11 1.55 1.2944 6 4 2 73.75 2.48 1.2847 3 13 1 73.98 2.25 1.2813 0 8 4 74.22 4.47 1.2778 5 10 1 74.87 2.66 1.2683 6 8 0 75.42 2.33 1.2603 4 0 4 75.60 1.36 1.2578 7 0 1 75.62 3.52 1.2576 4 1 4 76.89 2.77 1.2399 0 14 2 77.01 4.61 1.2383 6 6 2 77.17 2.24 1.2361 4 3 4 77.34 1.25 1.2337 7 3 1 77.45 1.85 1.2323 2 8 4 78.40 1.39 1.2197 2 15 0 78.52 1.18 1.2182 4 4 4 78.69 1.34 1.2159 7 4 1 79.45 1.06 1.2062 1 0 5 82.34 3.00 1.1711 4 6 4 82.38 1.89 1.1707 6 8 2 83.95 1.90 1.1526 3 12 3 84.21 2.11 1.1497 1 5 5 84.98 1.33 1.1413 7 7 1 85.36 1.12 1.1372 4 13 2 85.54 1.15 1.1353 5 9 3 86.30 2.83 1.1273 1 6 5 87.28 4.62 1.1171 8 2 0 87.64 3.89 1.1134 4 8 4 88.22 1.54 1.1076 8 3 0 88.31 5.86 1.1067 0 16 2 88.68 1.41 1.1031 3 13 3 88.75 1.09 1.1024 1 7 5 89.13 3.50 1.0987 5 10 3 89.18 2.21 1.0981 6 10 2 89.27 8.01 1.0973 0 12 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.