Cu2P2O7 Effenberger H Acta Crystallographica C46 (1990) 691-692 Structural refinement of low-temperature copper(II) pyrophosphate _database_code_amcsd 0010124 CELL PARAMETERS: 6.8950 8.1130 9.1640 90.000 109.620 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 482.863 Density (g/cm3): 4.140 MAX. ABS. INTENSITY / VOLUME**2: 31.56404464 RIR: 2.482 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.49 7.93 5.0702 1 1 0 4 17.82 5.51 4.9787 -1 1 1 4 20.58 16.50 4.3160 0 0 2 2 22.55 1.13 3.9436 1 1 1 4 23.30 6.96 3.8173 -1 1 2 4 24.24 1.77 3.6713 0 2 1 4 27.47 4.10 3.2473 2 0 0 2 28.31 100.00 3.1529 -2 0 2 2 30.24 83.60 2.9559 0 2 2 4 30.52 42.44 2.9293 1 1 2 4 31.47 4.01 2.8427 -1 1 3 4 34.15 2.28 2.6256 -2 2 1 4 35.41 22.37 2.5351 2 2 0 4 35.97 22.39 2.4966 1 3 0 4 39.29 3.49 2.2931 -1 3 2 4 39.96 3.01 2.2563 2 0 2 2 40.93 3.31 2.2048 -1 1 4 4 41.41 8.16 2.1803 -3 1 2 4 41.76 9.42 2.1630 -2 0 4 2 41.86 4.16 2.1580 0 0 4 2 43.25 8.14 2.0917 3 1 0 4 44.19 20.90 2.0494 1 3 2 4 44.53 3.52 2.0347 -3 1 3 4 44.68 1.05 2.0282 0 4 0 2 46.03 8.67 1.9718 2 2 2 4 47.65 18.47 1.9086 -2 2 4 4 47.74 3.13 1.9052 0 2 4 4 49.67 2.82 1.8357 0 4 2 4 52.34 7.34 1.7480 -1 3 4 4 52.74 10.42 1.7358 -3 3 2 4 53.74 1.79 1.7058 -2 4 2 4 54.28 8.83 1.6901 3 3 0 4 56.69 3.76 1.6237 4 0 0 2 57.11 2.71 1.6129 -3 1 5 4 58.20 5.01 1.5852 -4 2 2 4 58.55 6.07 1.5764 -4 0 4 2 58.64 5.37 1.5742 1 5 0 4 58.79 7.31 1.5706 2 0 4 2 58.81 1.58 1.5702 -4 2 1 4 59.72 1.54 1.5483 -4 2 3 4 60.03 2.34 1.5410 -3 3 4 4 60.19 17.56 1.5374 1 3 4 4 60.99 4.52 1.5193 -1 5 2 4 61.06 1.69 1.5175 -2 0 6 2 61.52 2.65 1.5074 4 2 0 4 62.81 2.47 1.4795 -2 4 4 4 63.52 1.58 1.4646 2 2 4 4 64.24 7.34 1.4499 3 3 2 4 64.66 6.15 1.4416 1 5 2 4 64.80 1.83 1.4387 0 0 6 2 65.69 1.52 1.4213 -2 2 6 4 68.20 3.42 1.3751 4 0 2 2 69.14 1.61 1.3586 -5 1 2 4 69.30 1.13 1.3559 0 2 6 4 69.52 4.88 1.3522 0 6 0 2 70.57 1.30 1.3346 -5 1 1 4 71.21 3.39 1.3241 -1 5 4 4 71.31 8.84 1.3225 -1 3 6 4 71.55 2.28 1.3188 -3 5 2 4 72.41 1.50 1.3052 3 1 4 4 72.59 1.33 1.3023 4 2 2 4 72.85 3.85 1.2984 3 5 0 4 72.90 2.45 1.2976 1 1 6 4 73.29 1.98 1.2916 -4 4 3 4 75.78 1.03 1.2553 -3 1 7 4 75.86 3.76 1.2542 -4 2 6 4 76.54 1.47 1.2447 -4 4 4 4 76.68 5.41 1.2427 -2 6 2 4 77.85 1.52 1.2270 -3 5 4 4 80.65 2.30 1.1913 -5 3 4 4 81.83 1.08 1.1771 2 0 6 2 82.36 2.74 1.1709 5 3 0 4 85.91 1.50 1.1313 5 1 2 4 85.99 1.87 1.1305 2 2 6 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.