Brannockite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070410 Armbruster T, Oberhansli R American Mineralogist 73 (1988) 595-600 Crystal chemistry of double-ring silicates: Structures of sugilite and brannockite CELL PARAMETERS: 9.9700 9.9700 14.2230 90.000 90.000 120.000 SPACE GROUP: P6/mcc ATOM X Y Z OCCUPANCY ISO(B) K 0.00000 0.00000 0.25000 1.000 0.871 Sn 0.33333 0.66667 0.25000 1.000 0.361 Li 0.50000 0.50000 0.25000 1.000 1.018 Si 0.23866 0.35649 0.39057 1.000 0.276 O 0.13180 0.39770 0.00000 1.000 1.026 O 0.22370 0.28070 0.13420 1.000 0.823 O 0.15980 0.50380 0.17260 1.000 0.519 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 13 MAX. ABS. INTENSITY / VOLUME**2: 28.03003037 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.25 12.82 8.6343 1 0 0 12.45 36.47 7.1115 0 0 2 16.15 22.23 5.4893 1 0 2 17.79 3.13 4.9850 1 1 0 20.57 42.85 4.3171 2 0 0 21.77 100.00 4.0820 1 1 2 25.04 4.75 3.5557 0 0 4 27.12 10.73 3.2879 1 0 4 28.05 32.79 3.1808 2 1 1 30.13 13.25 2.9661 2 1 2 30.89 61.82 2.8948 1 1 4 31.07 10.57 2.8781 3 0 0 32.63 3.01 2.7446 2 0 4 33.33 3.76 2.6882 2 1 3 33.59 16.44 2.6679 3 0 2 36.03 15.50 2.4925 2 2 0 37.40 3.18 2.4043 2 1 4 38.11 1.39 2.3615 3 1 1 38.26 7.58 2.3522 2 2 2 40.32 10.31 2.2371 3 0 4 41.85 1.05 2.1586 4 0 0 42.21 7.18 2.1408 1 1 6 42.28 4.03 2.1375 3 1 3 43.56 1.39 2.0779 2 0 6 44.38 4.47 2.0410 2 2 4 45.68 9.16 1.9863 3 1 4 45.81 4.13 1.9808 3 2 0 47.40 1.35 1.9179 2 1 6 48.30 8.81 1.8842 4 1 0 48.75 5.58 1.8678 4 1 1 49.77 5.32 1.8320 3 1 5 49.84 9.37 1.8298 3 0 6 50.08 13.79 1.8213 4 1 2 51.39 5.40 1.7779 0 0 8 53.03 1.28 1.7269 5 0 0 53.33 14.09 1.7177 2 2 6 54.46 1.88 1.6847 3 1 6 55.17 10.83 1.6649 4 1 4 55.93 3.55 1.6439 2 0 8 56.91 4.56 1.6181 3 3 2 57.99 1.66 1.5904 4 2 2 60.01 3.13 1.5416 5 1 1 60.95 1.60 1.5200 3 2 6 61.17 2.23 1.5152 5 1 2 61.28 5.09 1.5126 3 0 8 61.61 9.30 1.5054 3 3 4 63.02 3.14 1.4750 4 1 6 64.37 8.30 1.4474 2 2 8 64.78 1.35 1.4390 6 0 0 65.69 1.32 1.4215 5 1 4 66.16 1.17 1.4124 4 3 1 66.26 5.70 1.4105 6 0 2 67.78 8.43 1.3826 5 2 0 68.14 2.11 1.3761 5 2 1 68.62 4.25 1.3677 1 1 10 68.97 1.74 1.3616 5 1 5 69.02 2.06 1.3607 3 3 6 69.23 3.66 1.3572 5 2 2 70.61 3.12 1.3339 6 0 4 71.28 2.18 1.3231 3 2 8 71.53 3.95 1.3190 3 1 9 71.67 1.37 1.3167 6 1 0 72.49 2.17 1.3039 2 1 10 73.19 3.15 1.2931 4 1 8 74.40 1.76 1.2751 3 0 10 74.74 1.59 1.2701 4 3 5 79.09 1.16 1.2108 4 1 9 80.41 4.38 1.1943 5 2 6 83.91 2.14 1.1531 1 1 12 85.55 3.08 1.1352 4 1 10 88.29 1.32 1.1069 5 1 9 89.88 4.99 1.0914 5 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.