Olenite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R061133 Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F American Mineralogist 89 (2004) 447-454 Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T4 CELL PARAMETERS: 15.8060 15.8060 7.0890 90.000 90.000 120.000 SPACE GROUP: R3m ATOM X Y Z OCCUPANCY ISO(B) Na 0.00000 0.00000 0.25000 0.990 1.405 Al 0.12142 0.06071 -0.33189 1.094 0.774 Al 0.29709 0.26061 -0.36039 1.000 0.687 Si 0.19179 0.18986 0.03137 0.937 0.584 B 0.19179 0.18986 0.03137 0.063 0.584 B 0.10938 0.21876 0.48285 1.000 0.711 O 0.00000 0.00000 -0.19300 1.000 2.029 O 0.06044 0.12088 0.51700 1.000 1.453 O 0.26340 0.13169 -0.46150 1.000 1.145 O 0.09357 0.18715 0.10450 1.000 1.066 O 0.18620 0.09310 0.12640 1.000 1.121 O 0.19538 0.18497 -0.19500 1.000 0.853 O 0.28663 0.28622 0.10840 1.000 0.797 O 0.20935 0.27011 0.46850 1.000 0.837 H 0.26200 0.13100 0.41600 1.000 3.948 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 12 +/- 12 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 7.056458673 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.20 1.31 7.9030 1 1 0 14.07 29.89 6.2949 1 0 1 18.02 23.03 4.9238 0 2 1 19.45 17.82 4.5628 3 0 0 21.26 54.36 4.1791 2 1 1 22.50 74.36 3.9515 2 2 0 25.97 49.33 3.4313 0 1 2 26.64 12.32 3.3468 1 3 1 28.97 4.00 3.0818 4 0 1 29.91 13.49 2.9871 4 1 0 30.57 70.45 2.9241 1 2 2 31.15 7.52 2.8712 3 2 1 34.62 7.19 2.5908 3 1 2 35.14 100.00 2.5539 0 5 1 36.99 3.53 2.4301 2 4 1 38.08 9.67 2.3630 0 0 3 38.29 14.51 2.3505 2 3 2 38.77 18.56 2.3228 5 1 1 39.50 2.45 2.2814 6 0 0 41.69 9.99 2.1667 5 0 2 42.13 13.92 2.1449 4 3 1 43.11 5.30 2.0983 0 3 3 43.11 5.81 2.0983 3 0 3 43.30 6.88 2.0896 4 2 2 44.68 13.27 2.0280 2 2 3 44.87 40.91 2.0201 1 5 2 45.29 8.47 2.0024 1 6 1 45.93 3.06 1.9757 4 4 0 47.88 31.32 1.8998 3 4 2 48.28 1.67 1.8851 3 5 1 49.16 5.61 1.8532 1 4 3 49.72 7.79 1.8336 6 2 1 50.76 1.50 1.7987 6 1 2 51.99 5.38 1.7590 3 3 3 52.03 2.08 1.7576 1 0 4 53.40 2.01 1.7157 0 2 4 54.86 3.63 1.6734 2 6 2 56.03 16.08 1.6413 0 6 3 56.03 4.49 1.6413 6 0 3 56.54 13.78 1.6276 2 7 1 58.38 16.40 1.5806 5 5 0 58.66 3.36 1.5737 4 0 4 58.77 4.03 1.5711 4 5 2 59.12 2.50 1.5627 8 1 1 59.93 1.74 1.5434 3 2 4 60.38 4.23 1.5330 4 6 1 60.91 5.23 1.5209 9 0 0 61.29 5.03 1.5124 7 2 2 61.63 1.42 1.5050 7 3 1 62.15 3.73 1.4935 8 2 0 62.42 15.10 1.4877 0 5 4 63.64 4.10 1.4620 2 4 4 63.75 1.57 1.4599 1 8 2 64.82 4.08 1.4384 1 7 3 64.82 1.35 1.4384 7 1 3 64.86 14.92 1.4377 5 1 4 64.96 4.93 1.4356 6 4 2 65.79 4.91 1.4194 7 4 0 66.28 3.35 1.4103 0 1 5 66.48 6.81 1.4064 6 5 1 66.48 1.99 1.4064 1 9 1 67.20 1.73 1.3930 3 6 3 67.20 4.45 1.3930 6 3 3 67.24 12.02 1.3923 4 3 4 68.84 1.44 1.3639 3 8 1 70.00 10.24 1.3440 10 0 1 70.85 2.92 1.3301 5 6 2 71.65 4.48 1.3172 6 6 0 71.86 3.73 1.3138 5 5 3 71.90 1.02 1.3132 7 0 4 71.90 3.16 1.3132 3 5 4 72.11 3.17 1.3098 0 4 5 72.79 10.98 1.2992 10 1 0 73.04 1.51 1.2954 6 2 4 73.14 2.78 1.2939 8 3 2 73.25 1.93 1.2922 2 3 5 73.45 1.46 1.2892 5 7 1 74.28 1.48 1.2769 0 10 2 74.58 1.39 1.2724 8 4 1 75.06 3.79 1.2655 9 3 0 75.27 2.26 1.2625 2 8 3 75.52 10.84 1.2590 5 0 5 76.43 3.20 1.2462 5 4 4 77.65 1.02 1.2297 7 5 2 77.95 3.77 1.2257 0 11 1 78.76 1.77 1.2151 4 8 2 79.06 1.46 1.2112 2 10 1 79.98 2.00 1.1996 3 4 5 81.46 1.59 1.1815 0 0 6 82.19 1.42 1.1729 6 1 5 82.38 3.12 1.1706 11 1 1 84.75 1.26 1.1438 3 0 6 85.24 5.23 1.1385 10 1 3 87.43 1.94 1.1156 9 3 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.