Ba2 Cu3 O6.877 Y Sullivan J, Bordet P, Marezio M, Takenaka K, Uchida S Physical Review B48 (1993) 10638-10641 Electron-density Fourier maps of an untwinned YBa2Cu3O6.877 single crystal by x-ray-diffraction data _cod_database_code 1008649 _database_code_amcsd 0016537 CELL PARAMETERS: 3.8184 3.8857 11.7010 90.000 90.000 90.000 SPACE GROUP: Pmmm X-RAY WAVELENGTH: 1.541838 Cell Volume: 173.610 Density (g/cm3): 6.352 MAX. ABS. INTENSITY / VOLUME**2: 90.99378295 RIR: 4.664 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 7.56 2.66 11.7010 0 0 1 2 15.14 3.07 5.8505 0 0 2 2 22.80 6.05 3.9003 0 0 3 2 22.89 7.32 3.8857 0 1 0 2 23.30 3.88 3.8184 1 0 0 2 27.56 5.76 3.2368 0 1 2 4 27.90 9.48 3.1976 1 0 2 4 32.53 90.88 2.7528 0 1 3 4 32.82 100.00 2.7285 1 0 3 4 32.89 98.85 2.7235 1 1 0 4 33.79 1.63 2.6526 1 1 1 8 36.39 3.95 2.4691 1 1 2 8 38.47 11.67 2.3402 0 0 5 2 38.52 6.73 2.3370 0 1 4 4 38.78 4.63 2.3221 1 0 4 4 40.39 21.54 2.2330 1 1 3 8 46.57 15.73 1.9502 0 0 6 2 46.76 29.27 1.9428 0 2 0 2 47.63 27.53 1.9092 2 0 0 2 51.49 6.93 1.7750 1 1 5 8 52.50 1.26 1.7430 0 1 6 4 52.63 1.35 1.7390 0 2 3 4 52.87 1.05 1.7316 1 2 0 4 53.43 1.30 1.7148 2 0 3 4 53.47 1.52 1.7135 2 1 0 4 54.93 2.29 1.6716 0 0 7 2 55.33 2.41 1.6604 1 2 2 8 55.91 1.57 1.6445 2 1 2 8 58.18 28.90 1.5856 1 1 6 8 58.30 34.66 1.5826 1 2 3 8 58.87 30.64 1.5688 2 1 3 8 60.46 1.04 1.5313 1 0 7 4 62.09 4.56 1.4948 0 2 5 4 62.31 2.03 1.4901 1 2 4 8 62.82 4.38 1.4793 2 0 5 4 62.85 2.60 1.4785 2 1 4 8 65.52 3.56 1.4246 1 1 7 8 68.13 8.73 1.3764 0 2 6 4 68.55 3.44 1.3689 0 1 8 4 68.72 3.89 1.3659 1 0 8 4 68.82 8.44 1.3643 2 0 6 4 68.96 15.33 1.3617 2 2 0 4 73.69 1.11 1.2856 2 2 3 8 74.95 1.67 1.2671 0 2 7 4 75.61 1.63 1.2577 2 0 7 4 77.40 2.27 1.2329 0 1 9 4 77.57 2.55 1.2307 1 0 9 4 77.68 6.32 1.2292 0 3 3 4 77.88 6.96 1.2266 1 3 0 4 79.16 6.45 1.2100 3 0 3 4 79.19 6.63 1.2096 3 1 0 4 81.84 3.54 1.1770 2 2 5 8 82.43 2.08 1.1701 1 3 3 8 83.72 2.00 1.1553 3 1 3 8 86.96 2.21 1.1204 0 1 10 4 87.12 2.01 1.1188 1 0 10 4 87.25 3.74 1.1174 1 2 8 8 87.34 8.23 1.1165 2 2 6 8 87.73 3.28 1.1125 2 1 8 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.