Effenbergerite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120088 Lin H C, Liao F L, Wang S L Acta Crystallographica C48 (1992) 1297-1299 Structure of BaCuSi4O10 Locality: synthetic _database_code_amcsd 0018737 CELL PARAMETERS: 7.4270 7.4270 16.1040 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: P4/ncc ATOM X Y Z OCCUPANCY ISO(B) Cu 0.75000 0.75000 -0.09440 1.000 0.711 Ba 0.75000 0.25000 0.00000 1.000 0.947 Si 0.98220 -0.06180 0.15430 1.000 0.711 O 0.77630 -0.00070 0.13650 1.000 1.263 O 0.02470 -0.02470 0.25000 1.000 2.448 O 0.46880 0.11300 0.09090 1.000 1.342 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: 32.73053910 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.99 38.79 8.0520 0 0 2 16.24 5.72 5.4593 1 0 2 16.88 7.54 5.2517 1 1 0 20.19 46.00 4.3988 1 1 2 22.08 7.29 4.0260 0 0 4 25.16 26.12 3.5394 1 0 4 26.43 100.00 3.3722 2 0 2 27.42 6.08 3.2530 2 1 1 27.92 71.84 3.1951 1 1 4 29.08 37.25 3.0705 2 1 2 32.81 27.55 2.7296 2 0 4 33.38 3.16 2.6840 0 0 6 34.15 37.00 2.6258 2 2 0 35.97 12.37 2.4964 2 2 2 37.64 33.14 2.3900 1 1 6 38.03 3.29 2.3663 3 0 2 38.32 6.41 2.3486 3 1 0 38.75 1.26 2.3240 3 1 1 39.99 16.87 2.2547 3 1 2 41.04 6.49 2.1994 2 2 4 41.51 1.02 2.1753 2 0 6 43.34 4.18 2.0876 2 1 6 44.33 1.97 2.0432 3 2 1 44.67 25.46 2.0287 3 1 4 45.04 5.61 2.0130 0 0 8 45.45 2.80 1.9956 3 2 2 46.76 8.25 1.9429 1 0 8 47.94 1.50 1.8977 3 1 5 48.43 6.55 1.8796 1 1 8 48.50 2.70 1.8770 2 2 6 49.06 18.89 1.8568 4 0 0 49.72 7.54 1.8338 3 2 4 50.44 3.90 1.8093 4 0 2 51.02 1.77 1.7901 4 1 1 51.65 3.32 1.7697 2 0 8 51.72 23.52 1.7675 3 1 6 53.57 2.89 1.7106 3 3 2 55.32 7.11 1.6607 4 2 0 55.92 2.66 1.6442 4 1 4 56.59 17.96 1.6265 4 2 2 57.40 11.32 1.6054 3 3 4 57.71 3.11 1.5976 2 2 8 60.28 2.14 1.5352 4 2 4 60.58 5.92 1.5284 3 1 8 60.64 2.75 1.5270 4 0 6 62.83 1.49 1.4791 4 3 1 62.90 13.41 1.4775 2 0 10 63.44 5.11 1.4663 3 3 6 63.71 2.24 1.4608 4 3 2 64.75 5.88 1.4397 3 2 8 65.08 3.18 1.4333 5 1 2 66.52 1.36 1.4057 5 1 3 67.17 1.75 1.3936 5 0 4 68.33 2.19 1.3728 2 2 10 68.51 9.95 1.3697 5 1 4 68.78 4.37 1.3648 4 0 8 69.10 5.47 1.3594 5 2 2 70.10 2.52 1.3423 4 1 8 70.12 2.10 1.3420 0 0 12 71.41 1.87 1.3209 3 3 8 71.43 1.06 1.3206 1 0 12 71.91 2.46 1.3129 4 4 0 73.02 1.54 1.2958 4 4 2 74.00 2.51 1.2810 4 2 8 74.05 6.36 1.2802 5 1 6 74.49 1.22 1.2737 5 3 0 75.58 1.76 1.2581 5 3 2 77.04 1.23 1.2378 6 0 0 77.58 1.28 1.2306 5 1 7 78.12 2.31 1.2235 6 0 2 78.81 2.71 1.2144 5 3 4 79.38 1.25 1.2072 6 1 2 80.33 2.06 1.1952 5 0 8 80.35 5.35 1.1950 2 2 12 81.58 2.37 1.1800 5 1 8 82.06 1.79 1.1743 6 2 0 82.85 1.42 1.1652 3 1 12 83.12 2.99 1.1620 6 2 2 83.64 8.41 1.1561 4 2 10 84.13 6.66 1.1507 5 3 6 86.29 2.10 1.1273 6 2 4 86.57 1.11 1.1244 3 2 12 86.64 1.47 1.1236 1 1 14 89.02 1.69 1.0997 4 4 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.