{\rtf1\ansi\deff0{\fonttbl{\f0\fnil\fcharset0 Courier New;}{\f1\froman\fcharset0 Times New Roman;}} {\*\generator Msftedit 5.41.15.1507;}\viewkind4\uc1\pard\lang1033\f0\fs20 Benitoite\par \f1\fs24 Diffraction data computed using the structure from the paper listed below, \par along with the cell parameters refined from the powder pattern for R050332\f0\fs20\par \pard Fisher V K\par Zeitschrift fur Kristallographie 129 (1969) 222-243\par Verfeinerung der kristallstruktur von benitoit BaTi[Si3O9]\par Sample: Dallas Gem Mine, San Benito, Ca\par \par CELL PARAMETERS: 6.6410 6.6410 9.7590 90.000 90.000 120.000\par SPACE GROUP: P-6c2 \par \par ATOM X Y Z OCCUPANCY ISO(B)\par Ba 0.66667 0.33333 0.00000 1.000 1.500\par Ti 0.33333 0.66667 0.00000 1.000 0.800\par Si 0.07113 0.28941 0.25000 1.000 0.273\par O 0.25348 0.19273 0.25000 1.000 0.668\par O 0.08800 0.43019 0.11275 1.000 0.654\par \par X-RAY WAVELENGTH: 1.541838\par BOUNDS ON TWO THETA: 5.0 90.0\par LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 8\par MAX. ABS. INTENSITY / VOLUME**2: 51.26015422 \par The INTENSITY cut off value is 1.00\par \par 2-THETA INTENSITY D-SPACING H K L\par 15.41 25.83 5.7513 1 0 0\par 18.18 2.91 4.8795 0 0 2\par 23.92 100.00 3.7208 1 0 2\par 26.85 15.82 3.3205 1 1 0\par 28.39 11.66 3.1435 1 1 1\par 31.10 28.00 2.8756 2 0 0\par 32.62 79.49 2.7452 1 1 2\par 36.26 4.48 2.4774 2 0 2\par 36.84 9.73 2.4397 0 0 4\par 40.15 8.35 2.2460 1 0 4\par 41.54 17.37 2.1738 2 1 0\par 42.61 6.55 2.1218 2 1 1\par 45.69 11.99 1.9857 2 1 2\par 46.17 15.42 1.9661 1 1 4\par 47.42 10.89 1.9171 3 0 0\par 48.96 15.22 1.8604 2 0 4\par 50.50 2.09 1.8074 2 1 3\par 51.20 12.76 1.7843 3 0 2\par 55.33 4.25 1.6602 2 2 0\par 56.72 10.95 1.6230 2 1 4\par 57.80 1.39 1.5951 3 1 0\par 58.64 3.01 1.5742 3 1 1\par 58.74 6.13 1.5718 2 2 2\par 59.02 6.09 1.5651 1 0 6\par 61.12 10.50 1.5162 3 1 2\par 61.52 5.79 1.5074 3 0 4\par 63.71 10.01 1.4607 1 1 6\par 65.13 3.09 1.4322 3 1 3\par 67.97 3.39 1.3792 4 0 2\par 68.34 7.09 1.3726 2 2 4\par 70.54 1.70 1.3351 3 1 4\par 71.50 2.11 1.3194 3 2 0\par 72.59 2.11 1.3023 2 1 6\par 74.50 2.53 1.2737 3 2 2\par 75.80 5.32 1.2550 4 1 0\par 76.53 1.43 1.2448 4 1 1\par 76.86 2.58 1.2403 3 0 6\par 76.98 2.28 1.2387 4 0 4\par 77.24 1.58 1.2351 3 1 5\par 78.18 1.89 1.2227 3 2 3\par 78.39 2.20 1.2199 0 0 8\par 78.73 4.90 1.2155 4 1 2\par 83.14 2.14 1.1619 2 2 6\par 83.25 2.31 1.1606 3 2 4\par 85.21 3.51 1.1389 3 1 6\par 86.70 2.16 1.1230 2 0 8\par 87.38 3.42 1.1160 4 1 4\par ================================================================================\par XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs\par For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.\par \par }