BaCu2Ge2O7 Yamada T, Hiroi Z, Takano M Journal of Solid State Chemistry 156 (2001) 101-109 Spin-1/2 quantum antiferromagnetic chains with tunable superexchange interactions found in BaCu2(Si1-xGex)2O7 Locality: synthetic _database_code_amcsd 0018762 CELL PARAMETERS: 7.0476 13.4070 7.0276 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 664.018 Density (g/cm3): 5.218 MAX. ABS. INTENSITY / VOLUME**2: 55.98537891 RIR: 3.494 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.23 2.53 6.2243 0 1 1 4 17.82 10.00 4.9763 1 0 1 4 19.02 1.03 4.6653 1 1 1 8 22.25 38.48 3.9957 1 2 1 8 23.59 5.01 3.7711 0 3 1 4 25.27 12.88 3.5238 2 0 0 2 25.35 13.62 3.5138 0 0 2 2 26.15 3.23 3.4081 2 1 0 4 26.59 3.95 3.3517 0 4 0 2 26.81 1.08 3.3250 1 3 1 8 28.33 2.94 3.1500 2 0 1 4 28.38 7.48 3.1446 1 0 2 4 28.62 75.09 3.1191 2 2 0 4 28.68 48.52 3.1122 0 2 2 4 29.17 20.64 3.0615 1 1 2 8 31.38 8.88 2.8509 2 2 1 8 31.42 7.45 2.8469 1 2 2 8 32.20 100.00 2.7800 1 4 1 8 34.85 11.32 2.5747 2 3 1 8 34.89 4.47 2.5717 1 3 2 8 35.84 3.25 2.5052 0 5 1 4 36.10 51.13 2.4882 2 0 2 4 37.02 11.23 2.4286 2 4 0 4 37.07 3.76 2.4253 0 4 2 4 38.12 4.60 2.3605 1 5 1 8 39.03 2.81 2.3076 0 1 3 4 39.25 1.03 2.2954 2 4 1 8 39.29 1.05 2.2933 1 4 2 8 40.58 3.84 2.2229 1 0 3 4 41.07 2.18 2.1979 3 1 1 8 41.16 1.07 2.1930 1 1 3 8 42.77 7.65 2.1143 3 2 1 8 42.86 4.63 2.1100 1 2 3 8 43.62 3.63 2.0748 0 3 3 4 44.37 2.61 2.0418 2 5 1 8 44.40 1.08 2.0403 1 5 2 8 44.44 10.08 2.0384 1 6 1 8 45.40 3.34 1.9978 2 4 2 8 45.49 2.48 1.9940 3 3 1 8 46.50 2.66 1.9529 3 0 2 4 46.55 1.28 1.9508 2 0 3 4 47.02 8.29 1.9326 3 1 2 8 47.07 1.10 1.9305 2 1 3 8 48.22 12.12 1.8871 2 6 0 4 48.27 8.37 1.8855 0 6 2 4 49.10 23.23 1.8555 3 4 1 8 49.18 11.13 1.8525 1 4 3 8 50.08 3.49 1.8215 1 6 2 8 51.09 7.55 1.7879 2 3 3 8 51.82 3.94 1.7641 0 5 3 4 51.89 9.80 1.7619 4 0 0 2 52.05 4.50 1.7569 0 0 4 2 52.37 1.25 1.7469 4 1 0 4 53.47 1.75 1.7136 3 5 1 8 53.77 4.43 1.7047 1 0 4 4 54.24 13.06 1.6911 1 1 4 8 54.37 1.67 1.6874 3 4 2 8 54.78 14.78 1.6759 0 8 0 2 55.49 1.63 1.6560 4 2 1 8 55.63 4.29 1.6521 1 2 4 8 56.24 2.92 1.6358 1 7 2 8 57.90 1.05 1.5928 1 3 4 8 58.50 6.97 1.5777 3 6 1 8 58.51 6.81 1.5775 2 5 3 8 58.57 2.47 1.5759 1 6 3 8 58.61 2.05 1.5750 4 0 2 4 58.72 2.21 1.5723 2 0 4 4 59.44 1.09 1.5551 3 3 3 8 60.37 6.25 1.5332 4 2 2 8 60.48 1.96 1.5308 2 2 4 8 60.84 5.51 1.5225 4 4 1 8 60.98 3.32 1.5195 1 4 4 8 61.25 3.02 1.5134 2 8 0 4 61.28 1.23 1.5126 0 8 2 4 62.47 16.05 1.4867 3 4 3 8 62.83 1.44 1.4790 1 8 2 8 65.48 2.99 1.4255 4 4 2 8 65.58 3.89 1.4235 2 4 4 8 66.86 5.85 1.3993 3 1 4 8 67.37 16.73 1.3900 2 8 2 8 68.03 1.37 1.3780 4 2 3 8 68.09 2.92 1.3770 3 2 4 8 68.63 1.46 1.3674 3 7 2 8 69.33 1.40 1.3553 1 6 4 8 69.87 1.96 1.3462 1 9 2 8 70.06 3.07 1.3430 4 3 3 8 70.20 2.93 1.3408 0 3 5 4 71.45 1.52 1.3203 5 3 1 8 73.57 1.55 1.2873 4 6 2 8 73.80 1.01 1.2840 5 2 2 8 74.23 9.86 1.2777 5 4 1 8 74.52 4.44 1.2734 1 7 4 8 74.63 1.04 1.2718 3 8 2 8 75.93 4.80 1.2531 2 3 5 8 75.94 3.52 1.2531 2 10 0 4 75.97 4.61 1.2526 0 10 2 4 76.40 2.18 1.2466 4 5 3 8 76.53 3.76 1.2449 0 5 5 4 76.58 1.33 1.2441 4 0 4 4 78.82 5.48 1.2143 4 8 0 4 78.95 1.71 1.2127 0 8 4 4 79.46 1.23 1.2061 3 0 5 4 80.34 1.36 1.1951 1 8 4 8 80.65 1.50 1.1913 4 6 3 8 80.71 1.64 1.1906 3 6 4 8 80.87 2.08 1.1886 5 2 3 8 81.22 1.54 1.1844 3 9 2 8 81.98 1.04 1.1754 5 6 1 8 82.11 3.55 1.1738 2 5 5 8 84.09 3.91 1.1511 1 1 6 8 84.30 1.04 1.1488 3 10 1 8 84.40 1.83 1.1477 4 8 2 8 84.49 1.50 1.1467 2 8 4 8 84.95 1.56 1.1416 6 2 1 8 85.23 1.02 1.1386 1 2 6 8 85.67 1.51 1.1339 3 7 4 8 86.83 3.33 1.1217 1 9 4 8 87.58 2.49 1.1140 6 0 2 4 89.43 1.84 1.0958 5 1 4 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.