Fresnoite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050595 Moore P B, Louisnathan S J Zeitschrift fur Kristallographie 130 (1969) 438-448 The crystal structure of fresnoite, Ba2(TiO)Si2O7 Positive polarity Locality: sanbornite deposits of eastern Fresno County, California, USA CELL PARAMETERS: 8.5146 8.5146 5.2041 90.000 90.000 90.000 SPACE GROUP: P4bm ATOM X Y Z OCCUPANCY ISO(B) Ba 0.32720 0.82720 0.00000 1.000 0.890 Ti 0.00000 0.00000 0.54140 1.000 0.170 Si 0.12820 0.62820 0.52070 1.000 0.370 O 0.00000 0.50000 0.61830 1.000 1.800 O 0.12360 0.62360 0.21250 1.000 0.510 O 0.28960 0.57620 0.65840 1.000 1.290 O 0.00000 0.00000 0.22780 1.000 0.940 X-RAY WAVELENGTHS: 1.540562 1.544390 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 91.11320677 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.70 / 14.74 3.62 / 1.81 6.0207 1 1 0 17.02 / 17.07 11.11 / 5.56 5.2041 0 0 1 20.85 / 20.90 5.70 / 2.85 4.2573 2 0 0 22.56 / 22.62 9.13 / 4.56 3.9372 1 1 1 23.34 / 23.40 15.86 / 7.93 3.8078 2 1 0 27.04 / 27.11 41.39 / 20.69 3.2952 2 0 1 29.03 / 29.11 100.00 / 50.00 3.0731 2 1 1 29.65 / 29.73 7.26 / 3.63 3.0104 2 2 0 33.25 / 33.33 23.94 / 11.97 2.6926 3 1 0 34.39 / 34.48 1.37 / 0.69 2.6058 2 2 1 34.44 / 34.53 13.97 / 6.98 2.6021 0 0 2 37.58 / 37.68 5.92 / 2.96 2.3914 3 1 1 37.63 / 37.72 1.09 / 0.54 2.3885 1 1 2 38.07 / 38.17 1.16 / 0.58 2.3615 3 2 0 40.60 / 40.71 5.20 / 2.60 2.2202 2 0 2 41.98 / 42.09 1.31 / 0.66 2.1505 3 2 1 42.02 / 42.13 20.18 / 10.09 2.1484 2 1 2 42.43 / 42.54 1.45 / 0.73 2.1286 4 0 0 43.80 / 43.92 17.13 / 8.56 2.0651 4 1 0 45.14 / 45.26 8.39 / 4.19 2.0069 3 3 0 46.03 / 46.15 2.70 / 1.35 1.9702 4 0 1 46.07 / 46.19 3.59 / 1.80 1.9686 2 2 2 47.32 / 47.44 17.05 / 8.53 1.9195 4 1 1 47.73 / 47.86 4.58 / 2.29 1.9039 4 2 0 48.58 / 48.71 13.16 / 6.58 1.8725 3 3 1 48.62 / 48.75 11.23 / 5.62 1.8711 3 1 2 52.72 / 52.87 2.10 / 1.05 1.7347 0 0 3 55.75 / 55.90 1.23 / 0.61 1.6476 4 0 2 56.87 / 57.03 9.24 / 4.62 1.6176 4 1 2 57.30 / 57.46 4.19 / 2.09 1.6065 2 0 3 57.95 / 58.11 4.65 / 2.32 1.5900 5 1 1 57.99 / 58.15 6.67 / 3.34 1.5891 3 3 2 58.41 / 58.57 11.19 / 5.59 1.5786 2 1 3 60.17 / 60.34 1.75 / 0.87 1.5365 4 2 2 61.22 / 61.38 7.54 / 3.77 1.5128 5 2 1 61.56 / 61.73 1.48 / 0.74 1.5052 4 4 0 63.67 / 63.85 2.92 / 1.46 1.4602 5 3 0 65.75 / 65.93 3.32 / 1.66 1.4191 6 0 0 66.44 / 66.63 3.16 / 1.58 1.4059 5 3 1 68.47 / 68.67 2.68 / 1.34 1.3691 6 0 1 69.51 / 69.71 2.16 / 1.08 1.3512 5 2 2 70.80 / 71.00 1.43 / 0.71 1.3298 5 4 0 70.89 / 71.09 6.76 / 3.38 1.3283 4 1 3 71.88 / 72.09 3.79 / 1.89 1.3124 3 3 3 72.45 / 72.66 4.36 / 2.18 1.3034 6 2 1 72.61 / 72.82 1.32 / 0.66 1.3010 0 0 4 73.44 / 73.65 3.89 / 1.95 1.2884 5 4 1 74.44 / 74.66 2.98 / 1.49 1.2734 5 3 2 76.38 / 76.60 3.99 / 1.99 1.2459 6 0 2 77.46 / 77.69 1.90 / 0.95 1.2311 2 1 4 79.63 / 79.86 1.82 / 0.91 1.2030 5 1 3 80.21 / 80.45 1.28 / 0.64 1.1957 6 2 2 81.16 / 81.41 2.56 / 1.28 1.1841 5 4 2 82.23 / 82.48 3.12 / 1.56 1.1714 3 1 4 82.39 / 82.64 2.32 / 1.16 1.1696 7 2 0 82.47 / 82.72 3.28 / 1.64 1.1686 5 2 3 83.97 / 84.23 1.11 / 0.55 1.1515 6 4 1 84.91 / 85.17 2.07 / 1.04 1.1411 7 2 1 87.18 / 87.46 1.83 / 0.92 1.1171 5 3 3 88.82 / 89.09 2.22 / 1.11 1.1008 4 1 4 89.06 / 89.34 1.16 / 0.58 1.0984 6 0 3 89.75 / 90.04 1.77 / 0.89 1.0917 3 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.