C9H17O4P Marsh R E Acta Crystallographica A50 (1994) 450-455 The centrosymmetric - noncentrosymmetric ambiguity: some more examples _database_code_amcsd 0009333 CELL PARAMETERS: 12.3850 6.5900 13.3940 90.000 98.000 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 1082.541 Density (g/cm3): 1.351 MAX. ABS. INTENSITY / VOLUME**2: 6.448595270 RIR: 1.554 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.11 22.09 9.7031 -1 0 1 2 10.48 27.16 8.4384 1 0 1 2 13.35 100.00 6.6318 0 0 2 2 14.44 7.96 6.1322 2 0 0 2 15.26 47.85 5.8051 1 1 0 4 16.26 5.33 5.4516 -1 1 1 4 18.29 39.32 4.8515 -2 0 2 2 18.98 13.47 4.6746 0 1 2 4 19.65 28.91 4.5180 -1 1 2 4 19.78 13.35 4.4893 2 1 0 4 20.99 1.37 4.2320 1 1 2 4 21.06 2.98 4.2192 2 0 2 2 21.53 3.48 4.1265 2 1 1 4 22.30 9.05 3.9860 1 0 3 2 22.76 11.02 3.9070 -2 1 2 4 24.24 1.10 3.6715 0 1 3 4 25.06 1.65 3.5533 2 1 2 4 25.64 8.85 3.4740 3 1 0 4 26.13 1.71 3.4106 1 1 3 4 27.30 5.17 3.2672 3 1 1 4 27.54 2.96 3.2388 -3 1 2 4 28.61 2.85 3.1200 -1 2 1 4 30.17 2.30 2.9621 0 1 4 4 30.29 5.22 2.9509 0 2 2 4 30.81 7.17 2.9025 2 2 0 4 33.56 2.24 2.6707 -1 0 5 2 33.77 3.81 2.6544 4 1 1 4 34.12 3.36 2.6281 -1 2 3 4 34.54 1.53 2.5969 2 2 2 4 34.67 2.90 2.5870 3 1 3 4 34.98 1.95 2.5655 3 2 0 4 35.61 1.99 2.5213 1 0 5 2 35.87 3.51 2.5032 -2 2 3 4 36.24 1.03 2.4787 3 2 1 4 36.43 3.44 2.4662 -3 2 2 4 38.23 2.37 2.3541 5 0 1 2 38.52 1.82 2.3373 0 2 4 4 38.88 1.28 2.3165 -5 1 1 4 39.19 1.69 2.2988 5 1 0 4 39.91 2.59 2.2590 -2 2 4 4 40.17 1.56 2.2446 4 2 0 4 40.45 1.53 2.2300 4 1 3 4 40.70 3.20 2.2169 5 1 1 4 41.12 1.94 2.1952 -4 2 2 4 42.53 1.55 2.1258 1 3 1 4 42.63 2.32 2.1207 -3 2 4 4 42.73 1.16 2.1160 2 2 4 4 43.62 2.10 2.0748 -1 2 5 4 43.88 1.76 2.0633 4 2 2 4 44.67 1.62 2.0285 5 0 3 2 49.53 1.43 1.8403 2 3 3 4 49.96 1.71 1.8255 3 3 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.