Vesignieite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120149 Ma Z, He R, Zhu X Acta Geologica Sinica 4 (1991) 145-151 Redetermination of the crystal structure of vesignieite Locality: Chigou black shale system, Ankang county, Shaanxi Province, China Note: y- and z-coordinates of Ba altered _database_code_amcsd 0011973 CELL PARAMETERS: 10.2390 5.9000 7.6860 90.000 116.260 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Cu 0.50000 0.50000 0.00000 1.000 1.062 Cu 0.25000 0.25000 0.00000 1.000 1.058 Ba 0.00000 0.00000 0.50000 1.000 0.775 V 0.08980 0.50000 0.26970 1.000 2.523 O 0.48220 0.24110 0.19020 1.000 2.701 O 0.22450 0.50000 0.19130 1.000 2.827 O 0.33030 0.00000 0.49410 1.000 9.197 O 0.20800 0.00000 0.12280 1.000 -0.581 H 0.28900 0.00000 0.24700 1.000 1.610 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 5 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 33.11385246 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.84 31.88 6.8928 0 0 1 17.86 16.37 4.9674 -2 0 1 17.87 30.51 4.9637 1 1 0 19.33 10.70 4.5911 2 0 0 19.38 21.46 4.5809 -1 1 1 25.85 25.56 3.4464 0 0 2 27.70 48.79 3.2199 2 0 1 27.76 100.00 3.2138 -1 1 2 30.25 32.92 2.9543 -3 1 1 30.30 16.50 2.9500 0 2 0 32.97 35.69 2.7169 3 1 0 33.01 34.31 2.7139 -3 1 2 33.03 35.02 2.7121 0 2 1 35.07 36.33 2.5587 1 1 2 35.10 17.83 2.5567 -2 0 3 35.32 6.15 2.5409 -4 0 1 35.39 11.95 2.5364 -2 2 1 36.17 16.24 2.4837 -4 0 2 36.19 32.10 2.4818 2 2 0 39.25 28.17 2.2956 4 0 0 39.34 55.94 2.2904 -2 2 2 41.52 2.51 2.1751 2 2 1 41.52 1.33 2.1748 -4 0 3 46.93 1.45 1.9362 4 0 1 47.03 2.99 1.9320 -2 2 3 47.19 4.23 1.9259 -5 1 2 47.21 3.92 1.9252 -4 2 1 47.27 4.06 1.9231 1 3 0 47.41 6.07 1.9175 1 1 3 47.45 3.01 1.9161 -2 0 4 47.82 1.72 1.9022 -5 1 1 47.88 1.76 1.9000 -4 2 2 47.92 1.68 1.8984 -1 3 1 50.17 21.82 1.8183 2 2 2 50.21 10.95 1.8172 -4 0 4 50.27 6.52 1.8150 3 1 2 50.34 6.50 1.8127 0 2 3 50.35 6.62 1.8123 -3 1 4 51.78 1.36 1.7657 2 0 3 51.83 2.64 1.7638 -1 1 4 52.16 13.58 1.7535 5 1 0 52.26 13.91 1.7505 -4 2 3 52.28 13.74 1.7497 -1 3 2 53.15 12.70 1.7232 0 0 4 53.71 2.26 1.7065 -6 0 2 53.80 4.60 1.7040 -3 3 1 55.45 2.87 1.6572 -6 0 1 55.50 3.25 1.6558 -6 0 3 55.54 6.69 1.6546 3 3 0 55.57 5.43 1.6539 -3 3 2 56.88 7.15 1.6187 4 2 1 56.94 6.82 1.6172 -5 1 4 56.96 6.95 1.6168 1 3 2 57.22 10.02 1.6100 4 0 2 57.34 19.73 1.6069 -2 2 4 60.99 1.60 1.5192 1 1 4 61.17 4.78 1.5150 2 2 3 61.23 2.39 1.5139 -4 0 5 62.34 1.24 1.4895 3 1 3 62.41 1.27 1.4879 0 2 4 62.43 1.23 1.4875 -3 1 5 62.92 23.76 1.4772 -6 2 2 63.02 11.85 1.4750 0 4 0 65.94 1.35 1.4166 -7 1 2 66.02 1.40 1.4150 -5 3 2 66.08 1.39 1.4140 -2 4 1 66.12 2.06 1.4132 4 2 2 66.20 2.08 1.4117 1 3 3 66.21 2.10 1.4115 -5 1 5 68.42 1.17 1.3711 6 0 1 68.53 2.18 1.3693 3 3 2 68.56 1.09 1.3688 -6 0 5 68.60 2.38 1.3681 -3 3 4 69.15 3.28 1.3585 6 2 0 69.24 3.26 1.3569 -6 2 4 69.29 3.22 1.3560 0 4 2 69.69 1.15 1.3493 5 1 2 69.83 1.14 1.3469 -1 3 4 69.83 1.15 1.3469 -4 2 5 70.11 5.07 1.3422 5 3 0 70.12 5.17 1.3421 -7 1 4 70.18 5.05 1.3410 2 4 1 74.03 2.82 1.2805 7 1 0 74.11 6.45 1.2794 2 2 4 74.18 3.20 1.2783 -4 0 6 74.20 2.74 1.2781 -5 3 4 74.23 2.77 1.2776 -2 4 3 74.72 1.94 1.2705 -8 0 2 74.87 3.82 1.2682 -4 4 2 76.16 3.88 1.2500 3 1 4 76.23 3.86 1.2489 0 2 5 76.26 3.84 1.2485 -3 1 6 76.75 2.64 1.2418 -8 0 4 76.81 5.32 1.2409 4 4 0 81.33 1.83 1.1831 -1 1 6 83.93 1.86 1.1529 -2 2 6 84.30 1.64 1.1488 0 0 6 84.39 1.74 1.1478 8 0 0 84.62 3.51 1.1452 -4 4 4 86.04 1.33 1.1300 -8 -2 1 86.16 2.72 1.1287 -7 3 4 86.25 2.69 1.1278 -1 5 2 86.77 4.11 1.1224 6 2 2 86.93 4.12 1.1206 -6 2 6 86.94 4.12 1.1206 0 4 4 88.88 1.09 1.1010 3 5 0 88.91 1.22 1.1008 -3 5 2 89.89 1.57 1.0913 7 3 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.