Scottyite 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 0018761 CELL PARAMETERS: 6.8606 13.1751 6.8959 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 623.310 Density (g/cm3): 4.609 MAX. ABS. INTENSITY / VOLUME**2: 45.12339687 RIR: 3.188 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.50 5.11 6.1096 0 1 1 4 18.24 1.97 4.8636 1 0 1 4 19.46 1.38 4.5626 1 1 1 8 22.73 53.14 3.9127 1 2 1 8 24.02 2.29 3.7043 0 3 1 4 25.84 3.79 3.4479 0 0 2 2 25.98 2.42 3.4303 2 0 0 2 26.86 1.33 3.3196 2 1 0 4 27.07 18.56 3.2938 0 4 0 2 28.98 8.60 3.0808 1 0 2 4 29.07 2.96 3.0713 2 0 1 4 29.23 67.39 3.0548 0 2 2 4 29.36 100.00 3.0425 2 2 0 4 29.78 13.36 2.9998 1 1 2 8 32.07 7.12 2.7907 1 2 2 8 32.16 7.22 2.7836 2 2 1 8 32.84 62.82 2.7272 1 4 1 8 35.60 7.30 2.5221 1 3 2 8 35.67 8.66 2.5169 2 3 1 8 36.50 2.75 2.4614 0 5 1 4 36.97 37.15 2.4318 2 0 2 4 37.87 1.46 2.3758 2 4 0 4 38.87 3.01 2.3168 1 5 1 8 39.81 5.86 2.2644 0 1 3 4 40.08 1.64 2.2500 1 4 2 8 40.14 1.23 2.2463 2 4 1 8 41.61 4.00 2.1706 3 0 1 4 42.02 1.55 2.1503 1 1 3 8 42.19 1.46 2.1417 3 1 1 8 42.49 1.33 2.1274 2 3 2 8 43.30 1.18 2.0897 2 5 0 4 43.75 6.38 2.0692 1 2 3 8 43.92 9.18 2.0616 3 2 1 8 44.49 1.33 2.0365 0 3 3 4 45.29 2.67 2.0025 1 5 2 8 45.31 8.46 2.0013 1 6 1 8 46.41 21.79 1.9564 2 4 2 8 46.68 1.37 1.9459 3 3 1 8 47.62 1.81 1.9095 2 0 3 4 47.72 1.19 1.9058 3 0 2 4 48.15 2.83 1.8898 2 1 3 8 48.25 6.04 1.8861 3 1 2 8 49.19 13.53 1.8521 0 6 2 4 49.27 13.58 1.8494 2 6 0 4 49.81 1.06 1.8307 3 2 2 8 50.19 3.97 1.8176 1 4 3 8 50.35 8.71 1.8124 3 4 1 8 51.08 3.00 1.7881 1 6 2 8 52.24 4.12 1.7512 2 3 3 8 52.85 1.41 1.7322 0 5 3 4 53.13 3.88 1.7240 0 0 4 2 53.42 5.88 1.7151 4 0 0 2 54.91 2.97 1.6720 1 0 4 4 55.39 6.57 1.6587 1 1 4 8 55.72 1.50 1.6496 3 4 2 8 55.82 9.51 1.6469 0 8 0 2 56.79 1.11 1.6212 3 0 3 4 56.81 4.43 1.6206 1 2 4 8 57.07 1.57 1.6137 4 2 1 8 57.37 1.59 1.6061 1 7 2 8 59.12 3.45 1.5626 1 3 4 8 59.78 2.43 1.5469 1 6 3 8 59.81 3.62 1.5462 2 5 3 8 59.92 7.38 1.5437 3 6 1 8 60.90 3.52 1.5213 4 4 0 4 61.86 4.03 1.4999 2 2 4 8 62.06 7.96 1.4955 4 2 2 8 62.27 3.04 1.4909 1 4 4 8 62.52 3.49 1.4855 4 4 1 8 63.93 1.47 1.4563 0 7 3 4 64.01 7.51 1.4546 3 4 3 8 64.12 1.50 1.4524 1 8 2 8 66.20 1.09 1.4118 1 5 4 8 68.53 3.42 1.3692 3 1 4 8 68.85 11.01 1.3636 2 8 2 8 69.79 1.89 1.3475 3 2 4 8 70.29 1.14 1.3392 3 7 2 8 70.83 1.07 1.3303 1 6 4 8 71.56 1.51 1.3185 5 2 1 8 71.73 1.36 1.3158 0 3 5 4 71.98 2.09 1.3119 4 3 3 8 75.56 2.57 1.2584 4 6 2 8 76.16 1.96 1.2500 1 7 4 8 76.46 4.88 1.2458 5 4 1 8 77.57 3.83 1.2307 0 10 2 4 77.63 3.16 1.2299 2 10 0 4 77.73 2.73 1.2285 2 3 5 8 78.23 1.94 1.2219 0 5 5 4 78.48 1.27 1.2188 4 5 3 8 78.70 1.04 1.2159 4 0 4 4 80.93 2.68 1.1879 4 8 0 4 83.32 2.09 1.1598 5 2 3 8 84.09 1.55 1.1511 2 5 5 8 86.10 2.41 1.1293 1 1 6 8 88.85 1.55 1.1014 1 9 4 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.