Struvite Whitaker A, Jeffery J W Acta Crystallographica B26 (1970) 1429-1440 The crystal structure of struvite, MgNH4PO4*6H2O Locality: synthetic _database_code_amcsd 0020109 CELL PARAMETERS: 6.9410 6.1370 11.1990 90.000 90.000 90.000 SPACE GROUP: Pmn2_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 477.043 Density (g/cm3): 1.687 MAX. ABS. INTENSITY / VOLUME**2: 4.858944378 RIR: 0.938 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.43 5.68 6.1370 0 1 0 2 15.02 42.98 5.8997 1 0 1 2 15.83 61.64 5.5995 0 0 2 1 16.47 27.70 5.3819 0 1 1 2 19.31 3.82 4.5976 1 1 0 4 20.89 100.00 4.2531 1 1 1 4 21.48 30.41 4.1364 0 1 2 2 25.06 3.74 3.5533 1 1 2 4 25.67 9.26 3.4705 2 0 0 2 27.12 23.95 3.2877 1 0 3 2 27.98 1.21 3.1893 0 1 3 2 29.10 2.22 3.0685 0 2 0 2 29.57 10.73 3.0209 2 1 0 4 30.20 7.16 2.9594 0 2 1 2 30.30 8.99 2.9499 2 0 2 2 30.65 46.39 2.9167 2 1 1 4 31.97 30.52 2.7998 0 0 4 1 32.90 8.07 2.7223 1 2 1 4 33.30 45.01 2.6909 0 2 2 2 33.71 38.99 2.6587 2 1 2 4 35.23 2.07 2.5472 0 1 4 2 35.79 6.21 2.5090 1 2 2 4 37.62 3.88 2.3913 1 1 4 4 38.33 11.35 2.3483 2 1 3 4 39.19 1.29 2.2988 2 2 0 4 40.04 3.16 2.2519 2 2 1 4 41.44 3.02 2.1791 2 0 4 2 41.72 2.34 2.1649 3 1 0 4 42.41 2.54 2.1316 1 0 5 2 42.51 3.58 2.1266 2 2 2 4 42.53 1.56 2.1256 3 1 1 4 43.77 2.47 2.0682 0 2 4 2 44.10 9.92 2.0535 2 1 4 4 44.28 1.38 2.0457 0 3 0 2 44.89 2.14 2.0193 3 1 2 4 45.02 7.97 2.0136 1 1 5 4 45.78 3.28 1.9821 1 2 4 4 46.16 2.73 1.9666 3 0 3 2 46.27 3.71 1.9622 1 3 0 4 46.39 9.31 1.9574 2 2 3 4 47.31 3.51 1.9215 0 3 2 2 48.62 4.75 1.8728 3 1 3 4 49.20 1.20 1.8518 1 3 2 4 49.33 2.32 1.8474 3 2 0 4 50.04 2.30 1.8227 3 2 1 4 50.44 3.27 1.8091 0 2 5 2 50.74 10.43 1.7992 2 1 5 4 50.90 6.35 1.7940 0 3 3 2 51.88 9.44 1.7623 2 3 0 4 52.25 1.14 1.7506 1 2 5 4 52.57 4.60 1.7409 2 3 1 4 52.70 2.66 1.7369 1 3 3 4 52.75 8.83 1.7352 4 0 0 2 53.50 5.65 1.7126 3 1 4 4 54.59 3.72 1.6810 2 3 2 4 55.44 1.60 1.6575 4 0 2 2 55.50 1.58 1.6557 3 2 3 4 55.65 1.76 1.6515 4 1 1 4 55.94 1.29 1.6438 2 0 6 2 57.25 1.16 1.6093 3 0 5 2 57.44 1.85 1.6042 2 2 5 4 57.60 1.27 1.6002 4 1 2 4 57.82 4.50 1.5947 0 2 6 2 58.09 5.87 1.5879 2 1 6 4 59.48 1.77 1.5542 1 2 6 4 61.36 2.53 1.5110 1 1 7 4 62.56 2.65 1.4849 1 4 1 4 63.83 3.06 1.4583 4 2 2 4 65.49 1.14 1.4252 3 2 5 4 65.88 1.00 1.4177 3 3 3 4 66.83 1.02 1.3999 0 0 8 1 69.00 2.80 1.3612 2 4 2 4 69.92 1.10 1.3455 0 4 4 2 69.99 3.66 1.3442 5 1 1 4 71.26 1.13 1.3233 4 3 0 4 71.91 2.82 1.3130 3 2 6 4 73.97 1.30 1.2814 2 3 6 4 74.72 4.87 1.2704 3 4 1 4 74.74 1.11 1.2701 2 1 8 4 79.20 1.39 1.2094 3 2 7 4 82.08 1.27 1.1742 4 2 6 4 83.55 1.05 1.1572 2 5 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.