Sanbornite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050001 Douglass R M American Mineralogist 43 (1958) 517-536 The crystal structure of sanbornite, BaSi2O5 CELL PARAMETERS: 4.6323 7.6924 13.5286 90.000 90.000 90.000 SPACE GROUP: Pcmn ATOM X Y Z OCCUPANCY ISO(B) Ba 0.28700 0.25000 0.04500 1.000 1.500 Si 0.36300 0.05000 0.31700 1.000 0.500 O 0.48000 0.25000 0.34800 1.000 1.000 O 0.14600 0.06000 0.22000 1.000 1.000 O 0.22800 0.97000 0.41600 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 7 +/- 12 MAX. ABS. INTENSITY / VOLUME**2: 41.02184566 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.09 16.59 6.7643 0 0 2 17.46 20.27 5.0797 0 1 2 22.40 100.00 3.9683 1 1 0 23.12 3.22 3.8462 0 2 0 23.36 5.94 3.8079 1 1 1 26.03 44.19 3.4228 1 1 2 26.35 2.74 3.3821 0 0 4 26.66 61.30 3.3435 0 2 2 27.61 19.59 3.2313 1 0 3 28.84 49.51 3.0961 0 1 4 29.99 4.15 2.9791 1 1 3 30.93 3.70 2.8908 1 2 1 32.79 21.22 2.7316 1 0 4 33.04 41.69 2.7111 1 2 2 34.85 10.46 2.5741 1 1 4 35.34 2.83 2.5398 0 2 4 37.51 4.48 2.3977 0 3 2 38.53 2.53 2.3364 1 0 5 38.88 11.22 2.3161 2 0 0 39.47 1.33 2.2829 2 0 1 40.20 6.79 2.2434 1 3 0 40.51 24.81 2.2271 1 2 4 41.20 9.25 2.1913 2 0 2 41.25 3.07 2.1886 2 1 1 41.75 15.23 2.1637 0 1 6 42.45 39.04 2.1293 1 3 2 42.92 9.64 2.1074 2 1 2 43.95 1.33 2.0603 2 0 3 44.33 4.80 2.0433 0 3 4 44.70 9.92 2.0274 1 0 6 45.42 2.51 1.9968 1 2 5 45.58 5.19 1.9901 2 1 3 45.73 2.18 1.9842 2 2 0 47.27 9.48 1.9231 0 4 0 47.58 1.35 1.9110 2 0 4 47.77 10.32 1.9039 2 2 2 48.71 1.02 1.8695 1 3 4 49.12 9.69 1.8546 2 1 4 49.26 4.81 1.8498 0 4 2 50.24 2.10 1.8161 2 2 3 50.92 14.40 1.7935 1 2 6 52.68 1.59 1.7375 1 1 7 53.03 1.14 1.7270 1 3 5 53.33 1.01 1.7179 1 4 2 53.55 3.49 1.7114 2 2 4 53.76 4.64 1.7051 2 3 1 54.17 6.72 1.6932 0 3 6 54.24 3.79 1.6911 0 0 8 55.13 2.71 1.6658 2 3 2 55.61 1.28 1.6526 1 4 3 55.65 1.36 1.6516 0 1 8 57.61 4.78 1.6000 2 2 5 57.99 1.39 1.5903 1 3 6 58.06 2.01 1.5885 1 0 8 58.36 6.09 1.5811 2 1 6 58.71 6.27 1.5725 1 4 4 59.41 4.03 1.5557 1 1 8 60.33 1.15 1.5341 3 0 1 60.41 3.02 1.5323 2 3 4 61.22 1.25 1.5139 3 1 0 62.60 3.15 1.4839 2 0 7 62.80 3.11 1.4796 2 4 0 62.91 3.46 1.4774 3 1 2 63.35 3.68 1.4682 1 2 8 63.70 2.14 1.4608 3 0 3 63.74 5.68 1.4601 1 5 0 64.20 1.66 1.4508 2 3 5 64.47 4.30 1.4454 2 4 2 64.98 1.43 1.4352 3 1 3 65.50 3.37 1.4250 3 2 1 66.20 2.98 1.4117 0 3 8 66.73 1.15 1.4018 3 2 2 66.80 5.68 1.4004 0 5 4 67.08 4.44 1.3952 1 4 6 68.66 3.33 1.3669 2 3 6 68.73 1.35 1.3658 2 0 8 69.96 2.39 1.3447 2 1 8 70.21 1.37 1.3405 1 5 4 71.30 2.59 1.3228 3 3 0 71.40 1.66 1.3212 3 1 5 71.51 4.08 1.3194 3 2 4 72.83 1.74 1.2986 1 0 10 73.93 1.55 1.2821 0 6 0 74.03 2.89 1.2805 1 1 10 74.32 3.49 1.2762 0 2 10 74.47 1.25 1.2740 3 0 6 74.69 1.52 1.2708 0 5 6 74.75 1.24 1.2699 0 4 8 75.00 1.15 1.2663 3 2 5 75.51 1.50 1.2591 2 5 2 77.42 2.50 1.2327 2 5 3 78.02 2.10 1.2247 1 4 8 79.20 1.28 1.2094 3 2 6 79.51 2.47 1.2054 2 3 8 80.00 1.24 1.1993 3 4 1 80.08 2.41 1.1984 2 5 4 80.61 1.34 1.1918 3 1 7 80.89 2.59 1.1884 3 3 5 83.25 2.56 1.1606 1 6 4 83.43 2.89 1.1585 1 3 10 84.97 1.25 1.1415 4 0 2 85.00 1.34 1.1411 4 1 1 87.21 1.73 1.1178 2 2 10 87.57 1.50 1.1141 2 5 6 88.09 1.17 1.1089 4 2 0 88.32 1.04 1.1066 2 6 2 88.47 1.79 1.1051 1 5 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.