Mixite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070503 Miletich R, Zemann J, Nowak M Physics and Chemistry of Minerals 24 (1997) 411-422 Reversible hydration in synthetic mixite, BiCu6(OH)6(AsO4)3.nH2O(n<=3): hydration kinetics and crystal chemistry Sample: H20 CELL PARAMETERS: 13.6350 13.6350 5.9180 90.000 90.000 120.000 SPACE GROUP: P6_3/m ATOM X Y Z OCCUPANCY ISO(B) Bi 0.33333 0.66667 0.25000 1.000 1.640 Cu 0.41073 0.09644 0.49716 1.000 1.600 As 0.65647 0.14974 0.25000 1.000 1.330 O 0.79910 0.21380 0.25000 1.000 1.630 O 0.60920 0.00790 0.25000 1.000 1.570 O 0.60450 0.17870 0.48160 1.000 1.560 OH 0.36990 -0.00970 0.25000 1.000 1.580 OH 0.44270 0.19700 0.75000 1.000 1.520 Wa 0.01000 0.17900 0.25000 0.167 2.600 Wa 0.18500 0.06800 0.01200 0.167 3.200 Wa 0.15900 0.20400 0.10400 0.083 1.900 Wa 0.19000 0.11300 0.11200 0.083 2.500 Wa 0.17500 0.16100 -0.00700 0.083 2.700 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 10 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 152.3859603 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.49 100.00 11.8083 1 0 0 12.99 2.81 6.8175 1 1 0 19.87 1.82 4.4691 1 1 1 19.89 4.98 4.4631 2 1 0 21.26 9.92 4.1797 2 0 1 22.59 5.08 3.9361 3 0 0 24.99 5.44 3.5634 1 2 1 24.99 21.50 3.5634 2 1 1 27.23 6.82 3.2750 1 3 0 30.26 4.93 2.9538 2 2 1 30.28 8.50 2.9521 4 0 0 31.16 1.62 2.8703 1 0 2 31.21 6.57 2.8655 1 3 1 31.21 2.34 2.8655 3 1 1 33.00 5.44 2.7144 1 1 2 33.07 1.49 2.7090 2 3 0 33.07 4.20 2.7090 3 2 0 33.94 2.23 2.6416 4 0 1 34.82 10.11 2.5768 1 4 0 34.82 1.53 2.5768 4 1 0 36.43 4.48 2.4662 1 2 2 36.43 12.86 2.4662 2 1 2 36.48 1.48 2.4632 2 3 1 36.48 5.30 2.4632 3 2 1 40.36 2.75 2.2345 2 2 2 41.11 1.31 2.1956 1 3 2 42.63 2.50 2.1208 1 5 0 43.33 2.10 2.0880 4 2 1 45.39 1.35 1.9981 2 3 2 46.75 1.13 1.9432 4 1 2 46.80 1.38 1.9413 3 4 0 49.41 2.53 1.8446 3 4 1 50.59 2.69 1.8043 2 1 3 50.65 2.72 1.8023 3 3 2 51.28 2.04 1.7817 2 4 2 51.28 3.59 1.7817 4 2 2 53.13 3.84 1.7238 5 1 2 53.78 1.85 1.7044 4 4 0 54.29 1.29 1.6898 1 3 3 56.13 4.88 1.6387 6 0 2 56.75 1.74 1.6223 5 3 1 57.87 2.50 1.5933 2 5 2 59.06 1.33 1.5640 1 7 0 60.15 1.95 1.5383 1 6 2 62.81 1.95 1.4795 0 0 4 62.93 1.11 1.4769 4 4 2 73.86 1.58 1.2830 1 4 4 77.00 1.12 1.2384 5 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.