Barysilite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100057 Kolitsch U, Holtstam D Mineralogical Magazine 66 (2002) 353-363 Barysilite from Garpenberg Norra, Dalarna, Sweden: occurrence and crystal structure refinement Locality: Garpenberg Nora mine, Dalarna, Sweden AMCSD#0012161 CELL PARAMETERS: 9.7740 9.7740 38.2100 90.000 90.000 120.000 SPACE GROUP: R-3c ATOM X Y Z OCCUPANCY ISO(B) Pb 0.25627 0.23661 0.03950 1.000 0.444 Pb 0.00000 0.00000 0.16264 0.909 0.478 Ca 0.00000 0.00000 0.16264 0.091 0.478 Mn 0.00000 0.00000 0.25000 1.000 0.213 Si 0.59781 0.60219 0.04882 1.000 0.079 O 0.61290 0.00000 0.25000 1.000 0.268 O 0.62300 0.71480 0.01576 1.000 0.790 O 0.70690 0.52150 0.04550 1.000 0.316 O 0.41420 0.47680 0.05626 1.000 0.671 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 35 MAX. ABS. INTENSITY / VOLUME**2: 111.1976318 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.91 13.45 6.3683 0 0 6 13.98 2.57 6.3352 1 0 4 18.15 3.05 4.8870 1 1 0 19.45 52.04 4.5627 1 1 3 21.36 7.27 4.1597 0 1 8 21.51 25.88 4.1321 2 0 2 22.94 23.78 3.8770 1 1 6 22.98 31.06 3.8695 0 2 4 25.58 25.77 3.4826 1 0 10 27.84 45.34 3.2050 1 1 9 27.99 2.07 3.1881 2 1 1 28.02 25.44 3.1842 0 0 12 28.17 1.47 3.1676 2 0 8 28.28 59.08 3.1554 1 2 2 29.44 7.78 3.0337 2 1 4 30.29 100.00 2.9511 1 2 5 31.55 3.69 2.8361 0 2 10 31.71 42.53 2.8215 3 0 0 32.44 70.62 2.7601 2 1 7 33.59 65.51 2.6678 1 1 12 34.53 8.01 2.5976 0 1 14 34.78 2.82 2.5797 0 3 6 34.78 7.08 2.5797 3 0 6 38.25 8.30 2.3533 1 2 11 38.42 10.64 2.3432 1 3 1 39.20 13.99 2.2984 1 0 16 39.50 5.07 2.2813 2 2 6 39.91 10.37 2.2589 1 1 15 43.00 15.48 2.1033 0 4 2 43.51 2.49 2.0799 0 2 16 43.59 4.41 2.0764 1 2 14 43.82 3.32 2.0660 4 0 4 45.34 11.31 2.0003 1 3 10 46.65 4.26 1.9470 1 1 18 46.70 3.42 1.9451 3 1 11 46.84 4.65 1.9394 3 2 1 46.87 23.07 1.9385 2 2 12 46.96 5.14 1.9347 0 4 8 47.04 5.12 1.9319 2 3 2 47.80 8.50 1.9030 3 2 4 48.36 17.73 1.8821 2 3 5 49.22 25.96 1.8512 4 0 10 49.34 22.80 1.8471 4 1 0 49.56 24.57 1.8391 1 2 17 49.70 1.49 1.8343 1 3 13 49.84 16.69 1.8296 3 2 7 49.89 2.86 1.8280 4 1 3 51.34 5.35 1.7798 3 1 14 51.52 7.47 1.7740 1 4 6 51.52 1.45 1.7740 4 1 6 52.89 1.78 1.7312 3 2 10 53.76 11.68 1.7052 1 1 21 53.85 15.66 1.7026 2 1 19 54.06 1.21 1.6963 0 3 18 54.11 6.01 1.6950 2 3 11 54.15 1.45 1.6938 1 4 9 54.84 7.12 1.6742 1 3 16 54.90 16.26 1.6723 0 4 14 56.70 1.03 1.6235 3 1 17 56.82 1.08 1.6202 3 2 13 56.99 6.55 1.6158 3 3 3 57.34 1.84 1.6068 0 2 22 57.51 2.91 1.6025 2 2 18 57.84 11.93 1.5941 4 2 2 57.92 8.50 1.5921 0 0 24 58.25 10.99 1.5838 4 0 16 58.48 1.35 1.5782 3 3 6 59.75 7.93 1.5478 0 5 10 60.67 8.24 1.5264 2 1 22 60.91 6.22 1.5209 3 3 9 61.15 6.23 1.5155 1 5 2 62.07 2.25 1.4954 4 1 15 62.27 5.88 1.4911 1 5 5 62.99 1.68 1.4756 2 4 10 63.05 1.97 1.4744 1 2 23 63.29 4.81 1.4694 2 3 17 63.52 6.12 1.4645 5 1 7 64.22 10.72 1.4502 3 3 12 64.34 1.20 1.4480 0 1 26 64.81 3.17 1.4386 5 0 14 66.99 6.42 1.3969 3 2 19 67.18 1.30 1.3934 4 1 18 67.46 1.29 1.3883 2 0 26 67.56 2.28 1.3866 3 0 24 67.56 3.87 1.3866 0 3 24 67.92 2.50 1.3801 4 2 14 68.07 4.15 1.3774 6 0 6 68.35 2.47 1.3724 3 3 15 69.29 1.00 1.3561 3 1 23 69.78 1.66 1.3478 2 5 3 69.78 4.86 1.3478 5 2 3 70.52 1.87 1.3355 1 2 26 70.91 1.37 1.3290 2 4 16 71.11 3.00 1.3257 2 5 6 72.26 4.53 1.3075 4 3 10 72.82 3.35 1.2988 0 2 28 73.10 1.57 1.2946 3 2 22 73.24 1.39 1.2923 3 3 18 73.32 5.05 1.2912 2 5 9 73.32 1.94 1.2912 5 2 9 73.41 5.07 1.2898 6 0 12 73.41 2.20 1.2898 0 6 12 73.54 2.45 1.2879 6 1 2 74.12 3.52 1.2792 1 6 4 74.56 2.66 1.2728 6 1 5 75.28 2.28 1.2624 2 3 23 75.50 2.60 1.2593 1 5 17 75.71 3.35 1.2562 1 6 7 75.78 2.99 1.2552 2 1 28 76.36 4.47 1.2471 2 5 12 76.36 2.87 1.2471 5 2 12 76.47 1.70 1.2457 3 1 26 76.90 1.32 1.2397 3 4 14 78.25 2.27 1.2218 4 4 0 78.51 4.39 1.2183 1 2 29 78.87 3.40 1.2137 3 3 21 78.94 2.87 1.2127 5 1 19 79.16 1.12 1.2100 6 1 11 79.38 5.48 1.2071 0 4 26 79.47 3.60 1.2059 1 4 24 79.47 4.88 1.2059 4 1 24 80.22 3.39 1.1966 5 2 15 81.87 6.73 1.1766 2 4 22 82.01 2.69 1.1749 0 6 18 83.93 1.17 1.1529 3 5 10 84.17 4.65 1.1502 2 1 31 84.47 1.24 1.1469 4 0 28 84.74 3.35 1.1439 5 1 22 84.88 2.87 1.1424 5 2 18 86.35 4.30 1.1267 1 1 33 86.88 1.16 1.1212 7 1 0 87.33 3.03 1.1165 3 2 28 87.58 1.02 1.1140 1 0 34 89.99 1.15 1.0903 2 3 29 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.