Chiavennite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070349 Tazzoli V, Domeneghetti M C, Mazzi F, Cannillo E European Journal of Mineralogy 7 (1995) 1339-1334 The crystal structure of chiavennite CELL PARAMETERS: 8.7400 31.4300 4.9080 90.000 90.000 90.000 SPACE GROUP: Pnab ATOM X Y Z OCCUPANCY ISO(B) Ca 0.25000 0.08790 0.00000 1.000 1.445 Mn 0.00000 0.00000 0.00000 1.000 1.200 Be -0.00030 0.05720 -0.42980 1.000 0.711 Si 0.25000 0.00130 0.50000 1.000 0.979 Si 0.58380 0.23220 0.10470 1.000 1.461 Si 0.14250 -0.13510 0.24360 1.000 1.532 O 0.13920 -0.02790 0.31340 1.000 1.224 O 0.15170 0.03240 -0.29570 1.000 1.208 O 0.04140 0.23910 0.13470 1.000 3.229 O 0.25000 -0.24780 0.00000 1.000 2.250 O 0.25000 -0.11870 0.00000 1.000 6.103 O 0.25000 -0.13870 0.50000 1.000 8.283 O 0.08000 -0.18240 0.17730 1.000 2.700 O 0.00050 -0.10440 0.29050 1.000 1.634 OH 0.01250 0.05810 0.24300 1.000 1.634 Wa 0.15810 0.14740 0.26020 1.000 2.929 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 28 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 11.24916325 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 5.62 100.00 15.7150 0 2 0 11.26 20.36 7.8575 0 4 0 11.59 5.03 7.6382 1 2 0 15.16 24.91 5.8433 1 4 0 18.30 4.71 4.8492 0 1 1 19.76 1.56 4.4931 1 6 0 19.98 2.93 4.4445 0 3 1 20.32 3.21 4.3700 2 0 0 20.95 2.53 4.2403 1 1 1 21.52 21.46 4.1291 1 2 1 22.44 22.88 3.9617 1 3 1 22.63 41.92 3.9288 0 8 0 23.29 23.64 3.8191 2 4 0 26.56 1.21 3.3556 2 6 0 26.91 4.23 3.3128 0 7 1 27.33 38.84 3.2638 2 0 1 27.48 4.91 3.2463 2 1 1 27.92 13.10 3.1956 2 2 1 28.40 1.52 3.1430 0 10 0 28.65 11.39 3.1161 2 3 1 29.64 5.16 3.0141 2 4 1 30.22 8.13 2.9576 1 10 0 30.87 53.62 2.8966 2 5 1 31.22 3.11 2.8645 3 2 0 31.44 9.10 2.8454 0 9 1 32.32 2.35 2.7701 2 6 1 33.11 4.67 2.7057 1 9 1 33.96 16.98 2.6400 2 7 1 34.24 1.81 2.6192 0 12 0 35.25 1.13 2.5461 3 6 0 35.44 6.70 2.5332 1 10 1 35.77 6.35 2.5105 2 8 1 35.96 2.88 2.4973 3 1 1 36.38 1.07 2.4693 0 11 1 37.69 3.26 2.3868 3 4 1 37.73 7.45 2.3845 2 9 1 38.43 9.30 2.3424 0 4 2 38.47 1.42 2.3401 3 8 0 39.08 3.17 2.3048 1 3 2 39.82 5.24 2.2639 2 10 1 39.89 5.37 2.2601 3 6 1 40.37 6.67 2.2340 1 12 1 41.32 1.16 2.1850 4 0 0 41.53 1.81 2.1744 1 14 0 41.64 4.51 2.1688 0 13 1 41.74 4.66 2.1642 4 2 0 42.24 1.56 2.1397 2 0 2 42.81 2.84 2.1123 3 8 1 43.15 1.16 2.0964 2 3 2 43.48 1.61 2.0813 0 8 2 43.85 2.87 2.0645 2 4 2 44.51 1.49 2.0356 3 9 1 44.76 1.20 2.0247 1 8 2 44.95 1.62 2.0166 4 6 0 45.53 2.18 1.9921 4 1 1 45.81 8.10 1.9808 2 6 2 46.30 1.24 1.9609 4 3 1 46.35 2.92 1.9590 3 10 1 46.76 5.29 1.9427 2 13 1 46.97 4.41 1.9347 4 4 1 46.98 7.01 1.9343 0 10 2 47.05 1.16 1.9316 2 7 2 48.37 1.90 1.8819 1 15 1 48.82 1.32 1.8653 4 6 1 49.26 1.36 1.8497 2 14 1 49.96 1.14 1.8255 3 4 2 50.90 4.82 1.7941 4 10 0 50.97 1.67 1.7917 2 16 0 51.00 6.84 1.7908 0 12 2 51.38 1.20 1.7783 3 14 0 51.85 1.78 1.7632 2 15 1 52.87 1.05 1.7317 3 7 2 52.92 1.07 1.7301 0 17 1 53.52 2.02 1.7123 1 18 0 54.16 1.15 1.6935 3 8 2 54.71 4.35 1.6778 4 12 0 56.21 1.51 1.6364 4 11 1 56.31 1.43 1.6338 0 1 3 56.38 6.50 1.6319 4 0 2 56.71 2.38 1.6232 4 2 2 56.78 3.61 1.6215 2 18 0 57.27 4.21 1.6087 2 17 1 59.31 3.41 1.5580 4 6 2 60.20 1.03 1.5373 1 6 3 61.13 1.54 1.5160 2 3 3 61.53 4.15 1.5070 4 8 2 61.68 3.19 1.5038 2 4 3 62.38 1.19 1.4886 2 5 3 63.23 1.21 1.4705 2 6 3 63.70 1.34 1.4608 4 16 0 64.21 1.67 1.4504 6 2 0 64.23 2.92 1.4501 2 7 3 65.32 1.42 1.4286 0 22 0 65.62 1.16 1.4227 0 18 2 67.69 1.36 1.3842 6 3 1 68.46 1.20 1.3704 1 12 3 68.83 2.03 1.3641 4 18 0 68.88 1.11 1.3632 6 5 1 69.04 1.06 1.3604 2 21 1 70.64 2.81 1.3335 6 7 1 71.47 1.56 1.3200 4 14 2 74.35 1.69 1.2758 4 20 0 75.97 1.12 1.2526 6 0 2 77.12 1.21 1.2368 2 15 3 78.13 1.19 1.2233 0 2 4 83.12 1.64 1.1620 6 15 1 83.71 1.01 1.1554 0 24 2 86.60 1.28 1.1241 2 19 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.