Staurolite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080120 Comodi P, Montagnoli M, Zanazzi P F, Ballaran T B American Mineralogist 87 (2002) 1164-1171 Isothermal compression of staurolite: A single-crystal study Sample: room pressure CELL PARAMETERS: 7.8780 16.6520 5.6650 90.000 90.000 90.000 SPACE GROUP: Ccmm ATOM X Y Z OCCUPANCY ISO(B) Si 0.13406 0.16600 0.25000 0.940 0.568 Al 0.13406 0.16600 0.25000 0.060 0.568 Fe 0.39250 0.00000 0.25000 0.840 1.366 Li 0.39250 0.00000 0.25000 0.030 1.366 Zn 0.39250 0.00000 0.25000 0.010 1.366 Mn 0.39250 0.00000 0.25000 0.010 1.366 Al 0.50000 0.17520 0.00000 0.970 0.608 Fe 0.50000 0.17520 0.00000 0.010 0.608 Mg 0.50000 0.17520 0.00000 0.020 0.608 Al 0.26330 0.41050 0.25000 0.970 0.679 Fe 0.26330 0.41050 0.25000 0.010 0.679 Mg 0.26330 0.41050 0.25000 0.020 0.679 Al 0.00000 0.00000 0.00000 0.870 0.632 Mg 0.00000 0.00000 0.00000 0.130 0.632 Fe 0.50000 0.00000 0.00000 0.840 1.579 Zn 0.50000 0.00000 0.00000 0.010 1.579 Li 0.50000 0.00000 0.00000 0.030 1.579 Mn 0.50000 0.00000 0.00000 0.010 1.579 O 0.23490 0.00000 0.96580 1.000 0.829 O 0.25500 0.16130 0.01530 1.000 0.663 O 0.00160 0.08910 0.25000 1.000 0.845 O 0.02130 0.24920 0.25000 1.000 0.679 O 0.52680 0.10010 0.25000 1.000 0.655 X-RAY WAVELENGTHS: 1.540562 1.544390 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 15 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 17.49033604 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.62 / 10.64 100.00 / 50.00 8.3260 0 2 0 12.42 / 12.45 68.27 / 34.13 7.1213 1 1 0 19.55 / 19.60 8.28 / 4.14 4.5375 1 3 0 21.33 / 21.38 1.35 / 0.67 4.1630 0 4 0 22.55 / 22.61 15.20 / 7.60 3.9390 2 0 0 24.99 / 25.05 2.00 / 1.00 3.5606 2 2 0 25.12 / 25.19 2.39 / 1.20 3.5415 1 3 1 27.56 / 27.63 1.03 / 0.51 3.2340 2 0 1 29.09 / 29.16 16.13 / 8.07 3.0676 1 5 0 29.61 / 29.68 35.23 / 17.61 3.0146 2 2 1 31.24 / 31.31 20.61 / 10.30 2.8612 2 4 0 31.56 / 31.64 1.18 / 0.59 2.8325 0 0 2 32.23 / 32.31 32.19 / 16.10 2.7753 0 6 0 33.18 / 33.27 35.91 / 17.95 2.6975 1 5 1 34.04 / 34.12 3.05 / 1.52 2.6319 1 1 2 34.55 / 34.64 5.65 / 2.83 2.5939 3 1 0 35.11 / 35.20 15.34 / 7.67 2.5539 2 4 1 37.40 / 37.49 27.26 / 13.63 2.4028 1 3 2 37.87 / 37.97 9.47 / 4.73 2.3738 3 3 0 38.13 / 38.22 20.91 / 10.45 2.3585 3 1 1 38.41 / 38.51 6.50 / 3.25 2.3418 0 4 2 39.54 / 39.64 4.11 / 2.05 2.2773 1 7 0 40.67 / 40.77 6.46 / 3.23 2.2167 2 2 2 42.76 / 42.87 12.59 / 6.29 2.1130 1 7 1 43.44 / 43.55 3.01 / 1.51 2.0815 0 8 0 43.45 / 43.56 1.99 / 1.00 2.0810 1 5 2 43.87 / 43.98 2.26 / 1.13 2.0621 3 5 0 45.00 / 45.12 1.45 / 0.72 2.0130 2 4 2 45.73 / 45.85 38.33 / 19.16 1.9824 0 6 2 46.05 / 46.17 19.52 / 9.76 1.9695 4 0 0 47.39 / 47.52 1.08 / 0.54 1.9166 4 2 0 47.49 / 47.61 1.84 / 0.92 1.9130 3 1 2 49.49 / 49.62 2.47 / 1.23 1.8403 2 8 0 50.10 / 50.23 2.56 / 1.28 1.8193 3 3 2 50.64 / 50.77 1.29 / 0.64 1.8012 1 9 0 51.57 / 51.71 3.77 / 1.89 1.7708 2 6 2 52.22 / 52.36 3.13 / 1.56 1.7503 2 8 1 53.33 / 53.47 1.67 / 0.83 1.7165 1 9 1 55.00 / 55.15 4.37 / 2.19 1.6682 2 2 3 55.04 / 55.19 3.77 / 1.88 1.6671 3 5 2 55.11 / 55.26 3.38 / 1.69 1.6652 0 10 0 56.90 / 57.05 9.86 / 4.93 1.6170 4 0 2 57.24 / 57.40 8.27 / 4.14 1.6081 1 5 3 58.52 / 58.68 2.51 / 1.26 1.5760 2 4 3 59.80 / 59.96 3.01 / 1.51 1.5453 4 6 1 60.29 / 60.46 1.57 / 0.78 1.5338 2 10 0 60.60 / 60.77 3.69 / 1.84 1.5267 3 1 3 60.90 / 61.07 7.03 / 3.52 1.5199 1 9 2 61.09 / 61.26 4.07 / 2.04 1.5157 5 3 0 61.23 / 61.40 1.26 / 0.63 1.5125 3 9 0 61.27 / 61.44 4.43 / 2.22 1.5117 5 1 1 61.47 / 61.63 4.82 / 2.41 1.5073 4 4 2 62.42 / 62.59 1.27 / 0.63 1.4866 1 11 0 62.70 / 62.88 2.92 / 1.46 1.4805 2 10 1 64.00 / 64.18 3.78 / 1.89 1.4536 1 7 3 65.90 / 66.08 17.04 / 8.52 1.4162 0 0 4 66.91 / 67.10 58.22 / 29.11 1.3972 4 6 2 67.43 / 67.62 13.55 / 6.77 1.3877 0 12 0 68.30 / 68.49 2.73 / 1.36 1.3722 5 1 2 69.66 / 69.85 2.95 / 1.47 1.3487 2 10 2 70.62 / 70.82 1.06 / 0.53 1.3327 2 0 4 73.60 / 73.82 1.30 / 0.65 1.2858 1 5 4 74.15 / 74.37 2.65 / 1.32 1.2777 3 11 1 74.57 / 74.78 1.35 / 0.67 1.2716 4 10 0 74.73 / 74.94 2.54 / 1.27 1.2693 2 4 4 75.27 / 75.49 3.20 / 1.60 1.2615 0 6 4 78.04 / 78.27 1.41 / 0.71 1.2235 4 6 3 78.10 / 78.33 1.26 / 0.63 1.2227 6 4 1 78.59 / 78.83 2.30 / 1.15 1.2162 3 3 4 79.34 / 79.58 1.53 / 0.76 1.2066 5 1 3 79.90 / 80.14 1.58 / 0.79 1.1996 5 9 0 80.63 / 80.87 1.13 / 0.56 1.1905 2 10 3 81.33 / 81.58 1.17 / 0.58 1.1820 5 3 3 81.57 / 81.81 1.75 / 0.87 1.1792 6 2 2 84.12 / 84.38 3.30 / 1.65 1.1498 4 0 4 85.54 / 85.80 2.39 / 1.20 1.1344 4 12 0 86.12 / 86.38 1.27 / 0.64 1.1282 3 13 1 89.95 / 90.24 1.02 / 0.51 1.0898 6 8 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.