Wesselsite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120019 Knight K S, Henderson C M B, Clark S M European Journal of Mineralogy 22 (2010) 411-423 Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Locality: synthetic Sample: x = .193 _database_code_amcsd 0018769 CELL PARAMETERS: 7.3819 7.3819 15.6580 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: P4/ncc ATOM X Y Z OCCUPANCY ISO(B) Ba 0.25000 0.75000 0.00000 0.193 5.211 Sr 0.25000 0.75000 0.00000 0.807 5.211 Cu 0.25000 0.25000 0.09060 1.000 7.185 Si 0.50930 0.93170 0.15110 1.000 2.211 O 0.45110 0.98500 0.24600 0.500 4.974 O 0.71640 0.00110 0.13240 1.000 6.001 O 0.37030 0.02130 0.08730 1.000 6.396 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 14 MAX. ABS. INTENSITY / VOLUME**2: 19.86796815 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.30 38.48 7.8290 0 0 2 16.51 7.81 5.3709 1 0 2 16.99 2.13 5.2198 1 1 0 20.45 28.65 4.3430 1 1 2 22.72 19.63 3.9145 0 0 4 25.76 35.46 3.4583 1 0 4 26.70 100.00 3.3385 2 0 2 27.61 14.95 3.2303 2 1 1 28.50 56.67 3.1317 1 1 4 29.36 47.58 3.0419 2 1 2 32.08 1.08 2.7900 2 1 3 33.37 25.73 2.6854 2 0 4 34.36 31.17 2.6099 2 2 0 34.36 1.38 2.6097 0 0 6 36.28 6.43 2.4759 2 2 2 38.34 5.14 2.3474 3 0 2 38.57 2.39 2.3344 3 1 0 38.57 24.29 2.3342 1 1 6 39.01 1.61 2.3088 3 1 1 40.32 9.13 2.2370 3 1 2 41.59 3.48 2.1715 2 2 4 44.24 3.82 2.0473 2 1 6 44.64 3.53 2.0301 3 2 1 45.23 14.83 2.0049 3 1 4 46.39 4.00 1.9572 0 0 8 48.09 5.94 1.8919 1 0 8 48.65 1.67 1.8716 3 1 5 49.38 13.10 1.8455 4 0 0 49.39 2.25 1.8454 2 2 6 49.75 3.90 1.8327 1 1 8 50.29 6.21 1.8142 3 2 4 50.83 1.84 1.7962 4 0 2 51.37 3.03 1.7788 4 1 1 52.60 12.11 1.7399 3 1 6 53.99 1.07 1.6985 3 3 2 55.68 3.50 1.6506 4 2 0 56.52 2.06 1.6282 4 1 4 57.02 8.79 1.6151 4 2 2 58.01 4.51 1.5899 3 3 4 58.99 1.31 1.5658 2 2 8 59.47 1.10 1.5543 4 1 5 61.55 1.11 1.5068 4 0 6 61.86 2.46 1.4998 3 1 8 63.27 1.72 1.4699 4 3 1 64.20 1.71 1.4508 4 3 2 64.35 1.61 1.4477 3 3 6 64.66 7.44 1.4415 2 0 10 66.04 3.41 1.4148 3 2 8 67.09 2.26 1.3950 5 1 3 69.19 2.80 1.3578 5 1 4 69.63 2.98 1.3502 5 2 2 70.08 1.51 1.3427 4 0 8 71.40 1.09 1.3210 4 1 8 75.03 1.50 1.2660 5 1 6 78.74 1.52 1.2154 5 1 7 82.68 1.30 1.1671 2 2 12 85.19 1.35 1.1390 5 3 6 85.47 1.72 1.1360 4 2 10 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.