Sugilite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130754 Armbruster T, Oberhansli R American Mineralogist 73 (1988) 595-600 Crystal chemistry of double-ring silicates: Structures of sugilite and brannockite Note: x-coordinate of Na has been corrected _database_code_amcsd 0001157 CELL PARAMETERS: 10.0270 10.0270 14.0270 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 1.379 Fe 0.33333 0.66667 0.25000 0.830 0.368 Al 0.33333 0.66667 0.25000 0.170 0.368 Li 0.50000 0.50000 0.25000 1.000 1.228 Si 0.23633 0.35620 0.38678 1.000 0.504 O 0.13830 0.39720 0.00000 1.000 1.212 O 0.22320 0.27740 0.13770 1.000 1.059 O 0.16650 0.50910 0.17032 1.000 0.841 Na 0.33333 0.66667 0.01340 0.490 1.605 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 12 MAX. ABS. INTENSITY / VOLUME**2: 10.40447715 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.19 7.57 8.6836 1 0 0 12.62 17.32 7.0135 0 0 2 16.25 2.11 5.4562 1 0 2 20.45 96.95 4.3418 2 0 0 21.79 58.89 4.0786 1 1 2 24.11 8.62 3.6917 2 0 2 25.40 26.29 3.5068 0 0 4 27.17 4.56 3.2821 2 1 0 27.43 13.49 3.2516 1 0 4 27.92 82.24 3.1958 2 1 1 30.06 4.69 2.9727 2 1 2 30.89 10.53 2.8945 3 0 0 31.12 100.00 2.8736 1 1 4 32.83 16.68 2.7281 2 0 4 33.35 11.54 2.6863 2 1 3 33.49 4.54 2.6756 3 0 2 35.82 27.12 2.5068 2 2 0 37.34 4.71 2.4084 3 1 0 37.53 2.22 2.3963 2 1 4 37.90 3.50 2.3737 3 1 1 39.56 1.79 2.2778 3 1 2 39.94 1.33 2.2575 1 0 6 40.41 12.24 2.2323 3 0 4 42.21 8.88 2.1411 3 1 3 42.67 1.56 2.1188 1 1 6 43.65 1.74 2.0738 4 0 2 44.42 3.38 2.0393 2 2 4 45.53 6.61 1.9922 3 2 0 45.70 15.17 1.9853 3 1 4 47.44 1.61 1.9164 3 2 2 48.01 10.24 1.8949 4 1 0 48.48 14.73 1.8779 4 1 1 49.75 1.36 1.8327 3 2 3 49.85 4.76 1.8293 4 1 2 49.91 13.11 1.8274 3 1 5 50.16 5.30 1.8187 3 0 6 52.08 1.21 1.7562 4 1 3 52.17 11.07 1.7534 0 0 8 52.70 1.04 1.7367 5 0 0 53.58 1.99 1.7103 2 1 7 53.60 12.06 1.7097 2 2 6 55.09 13.28 1.6671 4 1 4 56.61 6.24 1.6258 2 0 8 56.62 1.31 1.6257 3 3 2 58.81 1.65 1.5703 4 1 5 59.65 9.15 1.5501 5 1 1 59.72 1.38 1.5484 4 2 3 61.46 16.08 1.5086 3 3 4 61.87 5.19 1.4997 3 0 8 62.81 2.04 1.4795 5 1 3 64.37 1.75 1.4473 6 0 0 64.90 14.10 1.4368 2 2 8 65.50 1.55 1.4250 5 1 4 65.75 3.76 1.4202 4 3 1 65.90 4.23 1.4174 6 0 2 66.40 1.96 1.4079 2 1 9 67.34 13.56 1.3905 5 2 0 67.72 4.89 1.3837 5 2 1 68.10 2.84 1.3768 4 1 7 68.83 1.17 1.3639 5 2 2 68.88 4.42 1.3631 5 1 5 69.60 2.60 1.3508 1 1 10 70.37 3.35 1.3378 6 0 4 70.68 2.19 1.3328 5 2 3 71.21 2.59 1.3242 6 1 0 71.71 3.44 1.3162 3 2 8 72.20 10.74 1.3085 3 1 9 72.91 1.10 1.2974 5 1 6 73.41 1.83 1.2898 2 1 10 73.60 2.61 1.2870 4 1 8 74.59 3.10 1.2723 4 3 5 76.84 1.31 1.2405 7 0 0 79.65 2.31 1.2037 4 1 9 80.02 1.69 1.1990 5 3 3 80.34 1.84 1.1951 5 2 6 80.87 1.04 1.1886 2 1 11 81.56 1.17 1.1803 4 4 4 82.48 1.12 1.1695 7 0 4 84.88 1.26 1.1424 5 2 7 85.25 2.80 1.1384 1 1 12 86.28 1.75 1.1274 4 1 10 88.74 3.89 1.1024 5 1 9 89.72 1.04 1.0929 7 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.