CaNH4P3O9 Masse R, Durif A, Guitel J C Zeitschrift fur Kristallographie 141 (1975) 113-125 Structure cristalline du trimetaphosphate CaNH4P3O9; Trimetaphosphates: CaKP3O9, CaCsP3O9 et CaNH4P3O9*3H2O Note: x(P2) adjusted to match reported bond lengths _database_code_amcsd 0010771 CELL PARAMETERS: 7.4460 12.4610 10.0500 90.000 90.000 90.110 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 932.484 Density (g/cm3): 2.073 MAX. ABS. INTENSITY / VOLUME**2: 5.878305433 RIR: 0.924 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.31 8.41 7.8228 0 1 1 4 13.84 16.98 6.3972 -1 1 0 2 13.87 23.68 6.3864 1 1 0 2 14.22 10.99 6.2305 0 2 0 2 16.43 99.88 5.3966 1 -1 1 4 16.45 100.00 5.3902 1 1 1 4 16.74 98.24 5.2954 0 2 1 4 17.65 75.94 5.0250 0 0 2 2 19.04 1.19 4.6603 0 1 2 4 21.33 9.27 4.1652 1 0 2 4 22.50 32.39 3.9517 1 -1 2 4 22.51 38.99 3.9491 1 1 2 4 22.73 18.11 3.9114 0 2 2 4 23.17 11.45 3.8387 0 3 1 4 25.51 10.20 3.4911 2 0 1 4 25.71 9.10 3.4644 -1 2 2 4 25.74 5.40 3.4610 1 2 2 4 26.10 8.38 3.4145 -1 3 1 4 26.14 6.96 3.4095 1 3 1 4 27.57 6.07 3.2351 0 1 3 4 27.87 2.87 3.2015 0 3 2 4 29.30 49.54 3.0480 2 -2 1 4 29.35 49.18 3.0433 2 2 1 4 29.87 22.21 2.9914 2 0 2 4 30.03 31.26 2.9756 0 4 1 4 30.11 6.66 2.9677 1 -1 3 4 30.12 8.34 2.9666 1 1 3 4 30.29 17.01 2.9505 0 2 3 4 30.37 12.21 2.9427 -1 3 2 4 30.41 13.48 2.9396 1 3 2 4 32.38 1.08 2.7649 -1 4 1 4 32.42 1.76 2.7614 1 4 1 4 32.63 1.61 2.7439 -1 2 3 4 32.66 1.64 2.7422 1 2 3 4 33.20 12.10 2.6983 2 -2 2 4 33.24 11.28 2.6951 2 2 2 4 33.86 4.59 2.6477 0 4 2 4 35.74 1.24 2.5125 0 0 4 2 35.98 6.98 2.4960 -1 4 2 4 36.94 12.00 2.4333 3 1 0 2 37.06 5.25 2.4256 2 3 2 4 37.61 8.20 2.3914 -2 4 0 2 37.69 1.01 2.3869 2 4 0 2 38.05 2.18 2.3650 3 1 1 4 38.05 2.30 2.3647 -1 5 0 2 38.10 4.31 2.3620 1 5 0 2 38.64 2.74 2.3302 0 2 4 4 38.70 2.41 2.3265 -2 4 1 4 39.18 1.90 2.2993 1 5 1 4 39.50 2.76 2.2813 0 4 3 4 40.10 1.41 2.2488 3 -2 1 4 40.40 9.90 2.2327 0 5 2 4 41.38 3.35 2.1821 -1 4 3 4 41.41 2.53 2.1804 1 4 3 4 41.83 1.46 2.1594 -2 4 2 4 42.28 1.89 2.1376 1 5 2 4 42.34 1.35 2.1346 2 3 3 4 43.45 1.56 2.0826 2 0 4 4 43.82 1.61 2.0660 -1 3 4 4 43.84 1.82 2.0649 1 3 4 4 44.08 2.62 2.0545 2 -1 4 4 44.09 3.26 2.0538 2 1 4 4 44.55 1.19 2.0339 0 6 1 4 44.64 2.60 2.0301 -2 5 1 4 44.72 1.69 2.0267 2 5 1 4 45.36 4.37 1.9996 0 5 3 4 45.72 3.73 1.9844 0 1 5 4 45.93 2.85 1.9758 2 -2 4 4 45.96 1.75 1.9746 2 2 4 4 46.08 1.86 1.9697 3 -1 3 4 46.25 7.63 1.9630 3 -3 2 4 46.30 4.72 1.9610 1 6 1 4 46.32 7.83 1.9602 3 3 2 4 47.36 4.88 1.9194 0 6 2 4 47.53 1.01 1.9129 0 2 5 4 47.67 2.76 1.9077 -3 4 1 4 47.76 1.12 1.9043 3 4 1 4 47.87 1.40 1.9002 3 -2 3 4 47.92 2.23 1.8985 3 2 3 4 48.09 1.10 1.8921 -1 4 4 4 48.12 1.95 1.8910 1 4 4 4 48.93 6.40 1.8615 4 0 0 2 50.26 1.64 1.8152 -2 6 0 2 50.35 1.10 1.8122 2 6 0 2 50.40 1.44 1.8104 4 1 1 4 50.44 3.24 1.8093 0 3 5 4 50.75 1.47 1.7989 3 -3 3 4 50.82 4.68 1.7967 3 3 3 4 51.25 4.55 1.7827 4 2 0 2 51.95 2.93 1.7603 -3 5 0 2 52.03 1.18 1.7578 1 3 5 4 52.05 2.29 1.7570 4 -2 1 4 52.18 1.29 1.7529 0 7 1 4 52.32 5.22 1.7486 3 -1 4 4 52.34 5.21 1.7479 3 1 4 4 52.80 1.26 1.7339 -3 5 1 4 52.85 7.18 1.7322 -2 4 4 4 52.91 2.73 1.7305 2 4 4 4 53.19 1.27 1.7220 -1 5 4 4 53.23 6.46 1.7209 1 5 4 4 53.32 3.63 1.7182 -1 6 3 4 54.57 2.04 1.6816 4 -2 2 4 56.53 1.31 1.6278 -2 3 5 4 56.57 2.08 1.6268 2 3 5 4 56.82 1.24 1.6204 1 -1 6 4 56.83 1.92 1.6202 1 1 6 4 57.65 1.04 1.5989 -2 5 4 4 57.72 1.02 1.5972 2 5 4 4 58.12 1.53 1.5870 -2 7 1 4 58.22 3.40 1.5847 2 7 1 4 58.37 1.68 1.5809 -1 2 6 4 58.39 2.05 1.5805 1 2 6 4 58.43 1.02 1.5794 4 -4 1 4 58.54 1.06 1.5768 4 4 1 4 58.61 1.09 1.5750 4 -2 3 4 58.63 1.86 1.5746 -3 6 1 4 61.54 1.05 1.5068 1 8 1 4 63.01 4.06 1.4753 0 4 6 4 63.59 2.04 1.4632 5 -1 1 4 63.67 1.67 1.4615 3 3 5 4 64.52 1.31 1.4443 0 6 5 4 64.87 2.23 1.4374 3 6 3 4 65.08 1.49 1.4333 2 3 6 4 65.22 1.97 1.4305 3 7 1 4 65.58 2.44 1.4234 -2 8 1 4 65.82 2.50 1.4188 5 -1 2 4 65.85 1.77 1.4182 5 1 2 4 66.68 1.32 1.4027 -5 3 0 2 67.06 1.01 1.3957 3 4 5 4 67.50 1.77 1.3876 5 3 1 4 68.23 1.14 1.3745 -4 6 1 4 68.96 1.31 1.3617 -1 9 0 2 69.47 2.37 1.3530 5 -1 3 4 69.68 1.48 1.3495 5 3 2 4 70.40 1.59 1.3375 -4 6 2 4 71.03 1.75 1.3270 3 7 3 4 71.39 2.22 1.3213 -2 8 3 4 72.11 1.05 1.3098 2 -2 7 4 72.49 1.02 1.3039 0 4 7 4 75.40 1.23 1.2607 1 9 3 4 78.02 1.69 1.2247 5 -3 4 4 78.77 1.03 1.2150 -1 8 5 4 78.97 1.57 1.2123 3 5 6 4 80.19 1.06 1.1970 4 5 5 4 82.14 1.06 1.1734 3 7 5 4 85.09 1.07 1.1401 5 -5 4 4 85.23 1.42 1.1386 5 5 4 4 86.41 1.21 1.1261 -2 6 7 4 87.71 1.29 1.1127 1 11 1 4 88.48 1.01 1.1050 1 7 7 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.