Ca3.8 Cl3.84 Cu3 Gd2.2 O8.16 Pelloquin D, Sundaresan A, Hervieu M, Michel C, Raveau B Journal of Solid State Chemistry 127 (1996) 315-324 New copper oxychlorides Ca4 Ln2 Cu3 O8 Cl4, first members of the intergrowth series (Ca2 Cu O2 Cl2)m (Ln2 Ca2 Cu2 O6 Cl2)n (Ln = Gd,Sm) _cod_database_code 1001747 _database_code_amcsd 0013912 CELL PARAMETERS: 3.8865 3.8865 41.8270 90.000 90.000 90.000 SPACE GROUP: I4/mmm X-RAY WAVELENGTH: 1.541838 Cell Volume: 631.792 Density (g/cm3): 5.022 MAX. ABS. INTENSITY / VOLUME**2: 220.1391334 RIR: 14.272 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 4.23 100.00 20.9135 0 0 2 2 8.46 30.07 10.4567 0 0 4 2 12.70 2.31 6.9712 0 0 6 2 25.27 5.30 3.5247 1 0 5 8 27.37 7.46 3.2580 1 0 7 8 29.97 18.98 2.9814 1 0 9 8 32.58 23.56 2.7482 1 1 0 4 32.87 1.46 2.7247 1 1 2 8 32.95 9.80 2.7180 1 0 11 8 33.72 1.31 2.6579 1 1 4 8 36.25 25.82 2.4784 1 0 13 8 38.75 2.18 2.3237 0 0 18 2 39.79 2.07 2.2656 1 0 15 8 41.86 2.88 2.1581 1 1 12 8 44.81 1.83 2.0226 1 1 14 8 46.75 14.16 1.9432 2 0 0 4 46.96 1.43 1.9349 2 0 2 8 47.47 1.58 1.9155 1 0 19 8 47.60 1.65 1.9105 2 0 4 8 47.84 1.64 1.9012 0 0 22 2 48.03 1.43 1.8941 1 1 16 8 51.50 3.59 1.7744 1 1 18 8 53.87 1.11 1.7018 2 1 5 16 55.02 1.71 1.6689 2 1 7 16 55.19 2.11 1.6643 1 1 20 8 56.53 5.57 1.6280 2 1 9 16 58.38 3.13 1.5808 2 1 11 16 59.08 1.81 1.5635 1 1 22 8 60.22 1.72 1.5367 1 0 25 8 60.55 9.07 1.5292 2 1 13 16 62.28 1.79 1.4907 2 0 18 8 68.26 3.51 1.3741 2 2 0 4 69.12 1.70 1.3590 2 0 22 8 74.43 1.18 1.2746 1 0 31 8 77.70 2.72 1.2290 3 1 0 8 79.52 1.25 1.2054 2 1 25 16 79.81 1.68 1.2017 3 0 13 8 81.22 1.29 1.1843 2 0 28 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.