Struvite Ferraris G, Fuess H, Joswig W Acta Crystallographica B42 (1986) 253-258 Neutron diffraction study of MgNH4PO4*6H2O (struvite) and survey of water molecules donating short hydrogen bonds _database_code_amcsd 0009807 CELL PARAMETERS: 6.9550 6.1420 11.2180 90.000 90.000 90.000 SPACE GROUP: Pmn2_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 479.206 Density (g/cm3): 1.701 MAX. ABS. INTENSITY / VOLUME**2: 4.726633580 RIR: 0.905 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.42 4.96 6.1420 0 1 0 2 14.99 35.80 5.9111 1 0 1 2 15.80 56.84 5.6090 0 0 2 1 16.45 24.10 5.3874 0 1 1 2 19.28 4.30 4.6038 1 1 0 4 20.86 100.00 4.2591 1 1 1 4 21.45 34.33 4.1418 0 1 2 2 25.02 3.58 3.5586 1 1 2 4 25.62 9.99 3.4775 2 0 0 2 27.07 25.91 3.2935 1 0 3 2 27.93 1.51 3.1940 0 1 3 2 29.08 2.18 3.0710 0 2 0 2 29.52 10.67 3.0261 2 1 0 4 30.17 8.17 2.9620 0 2 1 2 30.24 9.46 2.9556 2 0 2 2 30.60 50.18 2.9217 2 1 1 4 31.91 31.42 2.8045 0 0 4 1 32.87 8.22 2.7252 1 2 1 4 33.26 44.32 2.6937 0 2 2 2 33.65 38.76 2.6632 2 1 2 4 35.18 2.14 2.5511 0 1 4 2 35.75 6.56 2.5119 1 2 2 4 37.55 3.82 2.3951 1 1 4 4 38.26 10.98 2.3523 2 1 3 4 39.13 1.43 2.3019 2 2 0 4 39.98 2.99 2.2549 2 2 1 4 41.36 3.39 2.1830 2 0 4 2 41.64 2.40 2.1690 3 1 0 4 42.33 2.59 2.1352 1 0 5 2 42.45 3.49 2.1295 2 2 2 4 42.45 1.80 2.1295 3 1 1 4 43.71 2.57 2.0709 0 2 4 2 44.02 10.43 2.0570 2 1 4 4 44.24 1.44 2.0473 0 3 0 2 44.80 2.39 2.0230 3 1 2 4 44.94 8.29 2.0168 1 1 5 4 45.71 3.51 1.9848 1 2 4 4 46.07 2.76 1.9704 3 0 3 2 46.22 3.67 1.9640 1 3 0 4 46.32 9.56 1.9602 2 2 3 4 47.26 3.09 1.9232 0 3 2 2 48.52 4.50 1.8762 3 1 3 4 48.70 1.05 1.8697 0 0 6 1 49.15 1.24 1.8537 1 3 2 4 49.25 2.33 1.8503 3 2 0 4 49.96 2.37 1.8256 3 2 1 4 50.37 3.38 1.8116 0 2 5 2 50.65 10.63 1.8023 2 1 5 4 50.85 6.78 1.7958 0 3 3 2 51.82 9.79 1.7643 2 3 0 4 52.17 1.12 1.7531 1 2 5 4 52.51 5.03 1.7429 2 3 1 4 52.64 2.83 1.7388 1 3 3 4 52.64 9.23 1.7387 4 0 0 2 53.40 5.74 1.7157 3 1 4 4 54.52 3.85 1.6830 2 3 2 4 55.32 1.69 1.6608 4 0 2 2 55.40 1.66 1.6584 3 2 3 4 55.54 1.75 1.6547 4 1 1 4 55.83 1.25 1.6467 2 0 6 2 57.13 1.20 1.6122 3 0 5 2 57.35 1.92 1.6067 2 2 5 4 57.48 1.19 1.6032 4 1 2 4 57.73 4.53 1.5970 0 2 6 2 57.98 6.01 1.5906 2 1 6 4 59.38 1.76 1.5565 1 2 6 4 61.24 2.77 1.5135 1 1 7 4 62.49 2.74 1.4862 1 4 1 4 62.77 1.03 1.4802 3 3 2 4 63.70 3.41 1.4608 4 2 2 4 65.37 1.22 1.4275 3 2 5 4 65.78 1.07 1.4197 3 3 3 4 66.70 1.14 1.4023 0 0 8 1 68.91 3.16 1.3626 2 4 2 4 69.83 1.27 1.3468 0 4 4 2 69.83 3.98 1.3468 5 1 1 4 71.14 1.23 1.3253 4 3 0 4 71.77 3.02 1.3152 3 2 6 4 73.85 1.37 1.2832 2 3 6 4 74.37 1.06 1.2756 0 2 8 2 74.59 1.23 1.2723 2 1 8 4 74.62 5.32 1.2719 3 4 1 4 76.76 1.03 1.2417 1 3 7 4 79.05 1.55 1.2114 3 2 7 4 80.14 1.05 1.1975 2 2 8 4 81.91 1.42 1.1762 4 2 6 4 83.37 1.01 1.1592 6 0 0 2 83.45 1.12 1.1583 2 5 0 4 89.22 1.05 1.0978 2 3 8 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.