Jeremejevite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060617 Rodellas C, Garcia-Blanco S, Vegas A Zeitschrift fur Kristallographie 165 (1983) 255-260 Crystal structure refinement of jeremejevite (Al6B5F3O15) Locality: Cape Cross, Namibia CELL PARAMETERS: 8.5540 8.5540 8.1820 90.000 90.000 120.000 SPACE GROUP: P6_3/m ATOM X Y Z OCCUPANCY ISO(B) Al 0.35261 0.01544 0.07532 1.000 0.300 B 0.23322 0.00232 0.75000 1.000 0.379 B 0.66667 0.33333 -0.05402 1.000 0.371 F 0.50014 0.11314 0.25000 1.000 0.442 O 0.28512 0.19661 0.10135 1.000 0.363 O 0.56079 0.15000 -0.05455 1.000 0.355 O 0.30286 0.18636 0.75000 1.000 0.395 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 7.739613183 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.95 13.42 7.4080 1 0 0 20.77 100.00 4.2770 1 1 0 21.72 20.42 4.0910 0 0 2 23.47 44.77 3.7904 1 1 1 24.03 1.92 3.7040 2 0 0 24.86 19.46 3.5812 1 0 2 26.41 3.81 3.3743 2 0 1 31.96 24.47 2.8000 1 2 0 31.96 2.58 2.8000 2 1 0 32.61 1.68 2.7458 2 0 2 33.84 32.87 2.6491 1 2 1 33.84 6.00 2.6491 2 1 1 35.06 13.74 2.5594 1 0 3 36.38 19.19 2.4693 3 0 0 38.07 1.09 2.3640 3 0 1 39.17 20.71 2.2996 1 1 3 41.10 61.00 2.1962 2 0 3 42.26 2.57 2.1385 2 2 0 42.77 26.38 2.1141 3 0 2 43.75 5.56 2.0690 2 2 1 44.08 53.19 2.0546 1 3 0 46.03 1.79 1.9717 1 0 4 46.48 9.46 1.9537 1 2 3 46.48 25.82 1.9537 2 1 3 48.01 6.86 1.8952 2 2 2 49.20 5.30 1.8520 4 0 0 49.39 1.93 1.8453 1 1 4 49.65 2.27 1.8361 3 1 2 49.81 2.35 1.8305 3 0 3 50.53 3.35 1.8063 4 0 1 51.00 1.09 1.7906 2 0 4 53.95 7.51 1.6995 2 3 0 54.38 2.36 1.6872 4 0 2 54.53 42.28 1.6829 2 2 3 55.65 1.05 1.6517 1 2 4 56.04 3.67 1.6411 3 1 3 56.97 1.14 1.6166 1 4 0 56.97 2.64 1.6166 4 1 0 57.69 1.76 1.5979 1 0 5 58.17 1.35 1.5859 1 4 1 58.17 7.24 1.5859 4 1 1 58.60 5.17 1.5752 3 0 4 60.42 1.01 1.5321 4 0 3 60.58 11.32 1.5284 1 1 5 61.70 1.73 1.5034 1 4 2 61.70 6.08 1.5034 4 1 2 64.26 1.00 1.4496 1 3 4 64.62 8.71 1.4424 3 2 3 65.47 11.13 1.4257 3 3 0 66.14 1.77 1.4128 1 2 5 66.83 5.31 1.4000 4 2 0 67.20 1.44 1.3931 5 0 2 67.33 7.94 1.3906 1 4 3 67.33 40.62 1.3906 4 1 3 68.83 1.14 1.3641 3 0 5 68.85 13.48 1.3637 0 0 6 69.87 11.13 1.3463 3 3 2 71.18 1.36 1.3246 2 4 2 72.77 4.27 1.2996 2 2 5 72.79 5.21 1.2992 1 1 6 74.87 3.80 1.2683 4 1 4 75.20 1.71 1.2635 3 3 3 76.48 5.06 1.2455 4 2 3 77.28 3.29 1.2347 6 0 0 77.90 3.53 1.2263 4 0 5 77.92 1.23 1.2260 1 2 6 78.54 1.05 1.2179 4 3 0 80.28 1.97 1.1958 5 1 3 80.45 5.28 1.1937 3 0 6 81.42 1.55 1.1820 6 0 2 82.10 1.31 1.1740 2 5 1 83.78 1.19 1.1546 1 0 7 84.19 2.90 1.1500 4 1 5 85.46 3.35 1.1362 1 3 6 86.53 1.48 1.1248 6 0 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.