Pabstite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060386 Hawthorne F C Neues Jahrbuch fur Mineralogie, Monatshefte 1987 (1987) 16-30 The crystal chemistry of the benitoite group minerals and structural relations in (Si3O9) ring structures Sample: "occurs in small fractures and as scattered grains in recrystallized siliceous limestone at Santa Cruz, Ca" CELL PARAMETERS: 6.7077 6.7077 9.8260 90.000 90.000 120.000 SPACE GROUP: P-6c2 ATOM X Y Z OCCUPANCY ISO(B) Ba 0.66667 0.33333 0.00000 1.000 0.892 Sn 0.33333 0.66667 0.00000 0.770 0.529 Ti 0.33333 0.66667 0.00000 0.230 0.529 Si 0.06740 0.28580 0.25000 1.000 0.371 O 0.25050 0.19330 0.25000 1.000 0.663 O 0.08080 0.42370 0.11370 1.000 0.742 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 63.78403481 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.25 33.97 5.8090 1 0 0 18.06 10.10 4.9130 0 0 2 23.72 91.50 3.7513 1 0 2 26.58 28.76 3.3538 1 1 0 28.11 9.81 3.1741 1 1 1 30.78 20.42 2.9045 2 0 0 32.32 100.00 2.7700 1 1 2 35.92 4.10 2.5003 2 0 2 36.58 12.22 2.4565 0 0 4 39.84 3.51 2.2625 1 0 4 41.11 14.80 2.1956 2 1 0 42.17 4.71 2.1428 2 1 1 45.24 7.84 2.0045 2 1 2 45.79 24.44 1.9818 1 1 4 46.92 16.02 1.9363 3 0 0 48.54 14.35 1.8756 2 0 4 50.01 1.61 1.8238 2 1 3 50.67 19.27 1.8015 3 0 2 54.74 6.47 1.6769 2 2 0 56.19 13.20 1.6370 2 1 4 57.17 2.36 1.6111 3 1 0 58.01 2.32 1.5899 3 1 1 58.13 10.91 1.5870 2 2 2 58.56 5.57 1.5762 1 0 6 60.47 9.68 1.5309 3 1 2 60.92 9.00 1.5207 3 0 4 63.18 13.62 1.4716 1 1 6 64.45 2.15 1.4457 3 1 3 67.22 4.19 1.3927 4 0 2 67.65 9.72 1.3850 2 2 4 69.81 1.38 1.3472 3 1 4 70.69 1.47 1.3327 3 2 0 71.93 1.88 1.3127 2 1 6 73.65 3.08 1.2862 3 2 2 74.91 7.62 1.2676 4 1 0 75.64 1.11 1.2572 4 1 1 76.13 4.46 1.2504 3 0 6 76.45 1.12 1.2459 3 1 5 77.29 1.56 1.2344 3 2 3 77.75 2.54 1.2283 0 0 8 77.82 8.29 1.2274 4 1 2 82.29 3.97 1.1716 2 2 6 82.31 2.41 1.1714 3 2 4 83.89 2.20 1.1533 1 1 8 84.32 3.22 1.1485 3 1 6 85.92 1.80 1.1313 2 0 8 86.37 6.90 1.1265 4 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.