Melanothallite Krivovichev S V, Filatov S K, Burns P C The Canadian Mineralogist 40 (2002) 1185-1190 The cuprite-like framework of OCu4 tetrahedra in the crystal structure of synthetic melanothallite, Cu2OCl2, and its negative thermal expansion Locality: synthetic _database_code_amcsd 0005787 CELL PARAMETERS: 7.4691 9.5969 9.7000 90.000 90.000 90.000 SPACE GROUP: Fddd X-RAY WAVELENGTH: 1.541838 Cell Volume: 695.298 Density (g/cm3): 4.088 MAX. ABS. INTENSITY / VOLUME**2: 55.72260263 RIR: 4.438 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.61 100.00 5.0372 1 1 1 8 26.12 7.63 3.4111 0 2 2 4 30.20 4.89 2.9590 2 0 2 4 30.33 23.56 2.9472 2 2 0 4 31.56 1.39 2.8348 1 1 3 8 31.80 27.74 2.8141 1 3 1 8 35.65 72.15 2.5186 2 2 2 8 37.07 8.70 2.4250 0 0 4 2 37.49 2.34 2.3992 0 4 0 2 38.49 15.81 2.3388 3 1 1 8 41.51 33.43 2.1755 1 3 3 8 47.03 21.66 1.9323 3 1 3 8 47.20 6.67 1.9257 3 3 1 8 48.62 1.61 1.8726 2 2 4 8 48.77 1.20 1.8673 4 0 0 2 48.87 1.87 1.8636 2 4 2 8 49.46 14.31 1.8428 1 1 5 8 49.95 6.78 1.8258 1 5 1 8 53.74 14.48 1.7055 0 4 4 4 56.16 1.12 1.6379 4 2 2 8 57.16 10.52 1.6116 1 5 3 8 61.77 2.49 1.5018 3 5 1 8 62.81 8.03 1.4795 4 0 4 4 63.09 12.52 1.4736 4 4 0 4 63.25 1.56 1.4703 2 6 0 4 63.78 2.81 1.4592 5 1 1 8 65.90 8.83 1.4174 2 2 6 8 66.44 8.56 1.4071 2 6 2 8 67.90 4.44 1.3805 3 3 5 8 69.71 4.79 1.3489 1 1 7 8 70.08 4.79 1.3427 5 1 3 8 70.21 1.52 1.3405 5 3 1 8 70.51 1.49 1.3356 1 7 1 8 75.49 3.18 1.2593 4 4 4 8 79.98 2.57 1.1996 0 8 0 2 80.23 2.44 1.1965 3 5 5 8 80.61 1.21 1.1918 3 7 1 8 82.48 3.88 1.1694 6 2 2 8 85.81 2.28 1.1324 3 3 7 8 86.44 2.28 1.1258 3 7 3 8 87.97 1.82 1.1100 5 3 5 8 88.25 1.81 1.1073 1 7 5 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.