Crookesite Eriksson L, Werner P E, Berger R, Meerschaut A Journal of Solid State Chemistry 90 (1991) 61-68 Structure refinement of TlCu7Se4 from X-ray powder profile data Locality: synthetic Sample: GH Note: Cell parameters are an average of Table 1 values _database_code_amcsd 0013691 CELL PARAMETERS: 10.4500 10.4500 3.9708 90.000 90.000 90.000 SPACE GROUP: I4/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 433.621 Density (g/cm3): 7.390 MAX. ABS. INTENSITY / VOLUME**2: 90.74300898 RIR: 3.998 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 16.97 12.32 5.2250 2 0 0 4 23.97 6.42 3.7119 1 0 1 8 24.09 3.48 3.6946 2 2 0 4 26.98 8.91 3.3046 1 3 0 4 26.98 70.40 3.3046 3 1 0 4 29.52 30.06 3.0260 2 1 1 8 29.52 69.94 3.0260 1 2 1 8 34.24 76.53 2.6186 3 0 1 8 34.33 28.92 2.6125 4 0 0 4 36.48 16.11 2.4631 3 3 0 4 38.45 31.11 2.3410 3 2 1 8 38.45 16.11 2.3410 2 3 1 8 38.53 1.05 2.3367 2 4 0 4 38.53 8.49 2.3367 4 2 0 4 42.30 7.02 2.1364 1 4 1 8 42.30 71.62 2.1364 4 1 1 8 44.19 5.26 2.0494 5 1 0 4 45.70 45.64 1.9854 0 0 2 2 49.09 1.62 1.8559 2 0 2 8 49.27 34.26 1.8495 5 0 1 8 49.27 29.96 1.8495 4 3 1 8 50.96 53.72 1.7922 3 5 0 4 52.49 15.99 1.7435 5 2 1 8 53.87 18.85 1.7019 3 1 2 8 53.87 2.35 1.7019 1 3 2 8 55.62 4.34 1.6523 6 2 0 4 58.38 11.33 1.5807 4 0 2 8 58.54 12.18 1.5767 1 6 1 8 58.54 8.83 1.5767 6 1 1 8 59.83 6.80 1.5458 3 3 2 8 61.26 4.07 1.5130 4 2 2 8 61.42 3.99 1.5095 5 4 1 8 62.89 1.64 1.4779 1 7 0 4 62.89 1.27 1.4779 5 5 0 4 64.23 4.85 1.4502 3 6 1 8 64.23 4.63 1.4502 6 3 1 8 64.28 1.94 1.4492 6 4 0 4 65.45 2.99 1.4260 5 1 2 8 66.97 1.77 1.3974 7 0 1 8 70.83 35.05 1.3303 3 5 2 8 72.34 1.71 1.3062 8 0 0 4 74.51 1.78 1.2735 2 1 3 8 74.51 4.39 1.2735 1 2 3 8 74.75 3.24 1.2700 6 2 2 8 74.89 2.31 1.2679 5 6 1 8 74.89 3.10 1.2679 6 5 1 8 74.94 4.22 1.2672 2 8 0 4 74.94 12.12 1.2672 8 2 0 4 77.08 5.43 1.2373 3 0 3 8 77.46 1.27 1.2322 1 8 1 8 77.46 4.66 1.2322 4 7 1 8 77.51 3.39 1.2315 6 6 0 4 78.78 2.53 1.2148 7 5 0 4 79.63 2.79 1.2040 3 2 3 8 79.63 1.76 1.2040 2 3 3 8 81.13 1.41 1.1855 1 7 2 8 81.13 1.14 1.1855 5 5 2 8 82.16 7.66 1.1732 4 1 3 8 82.39 1.69 1.1705 6 4 2 8 82.53 6.23 1.1689 3 8 1 8 82.53 1.84 1.1689 8 3 1 8 83.83 1.00 1.1540 1 9 0 4 87.17 4.77 1.1182 4 3 3 8 87.17 5.36 1.1182 5 0 3 8 87.54 6.64 1.1144 9 0 1 8 88.83 1.27 1.1015 3 9 0 4 89.66 2.89 1.0935 5 2 3 8 89.89 1.80 1.0912 8 0 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.