Mg0.98 Nb2.02 O21 P6 Averbuch-Pouchot M, Durif A Zeitschrift fur Kristallographie 180 (1987) 195-202 Crystal data and structure of Nb2 Co (P2 O7)3 and Nb2 Mg (P2 O7)3 _cod_database_code 1007262 _database_code_amcsd 0015943 CELL PARAMETERS: 15.3600 7.9300 6.4870 90.000 90.510 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 790.116 Density (g/cm3): 3.082 MAX. ABS. INTENSITY / VOLUME**2: 15.56721324 RIR: 1.645 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.52 10.33 7.6797 2 0 0 2 12.56 16.91 7.0463 1 1 0 4 14.78 2.97 5.9948 -1 0 1 2 14.87 9.80 5.9567 1 0 1 2 17.66 63.22 5.0209 0 1 1 4 21.07 12.39 4.2158 -2 1 1 4 22.02 86.42 4.0363 -3 0 1 2 22.22 100.00 4.0016 3 0 1 2 22.42 57.77 3.9650 0 2 0 2 23.16 3.58 3.8398 4 0 0 2 23.17 1.55 3.8391 1 2 0 4 24.75 25.45 3.5972 -3 1 1 4 24.92 21.28 3.5725 3 1 1 4 25.28 2.96 3.5231 2 2 0 4 25.78 1.69 3.4560 4 1 0 4 26.34 57.31 3.3831 0 2 1 4 27.01 7.92 3.3006 1 2 1 4 28.79 3.87 3.1013 -2 2 1 4 28.89 5.01 3.0907 2 2 1 4 29.38 12.62 3.0400 4 1 1 4 29.76 5.94 3.0020 0 1 2 4 29.81 11.32 2.9974 -2 0 2 2 30.39 5.09 2.9417 1 1 2 4 31.23 1.68 2.8645 5 1 0 4 31.63 19.62 2.8286 -3 2 1 4 31.77 17.76 2.8165 3 2 1 4 32.13 5.13 2.7859 -5 0 1 2 32.46 1.37 2.7584 4 2 0 4 34.43 1.47 2.6050 1 3 0 4 34.51 28.13 2.5990 -3 1 2 4 34.77 22.19 2.5804 3 1 2 4 35.05 14.22 2.5599 6 0 0 2 35.44 1.58 2.5326 4 2 1 4 35.77 3.81 2.5105 0 2 2 4 35.93 1.41 2.4994 2 3 0 4 36.22 1.27 2.4803 -1 2 2 4 36.30 1.19 2.4749 1 2 2 4 36.71 8.58 2.4479 0 3 1 4 37.02 1.05 2.4284 5 2 0 4 38.32 11.81 2.3488 3 3 0 4 38.64 4.23 2.3300 2 3 1 4 39.63 1.74 2.2743 6 1 1 4 40.11 3.53 2.2479 3 2 2 4 40.81 2.68 2.2113 -3 3 1 4 41.90 4.05 2.1559 -5 1 2 4 42.01 4.68 2.1506 6 2 0 4 42.91 1.26 2.1079 -4 2 2 4 43.19 4.46 2.0946 4 2 2 4 43.38 4.66 2.0861 0 1 3 4 43.42 1.88 2.0841 -7 0 1 2 43.93 4.34 2.0610 4 3 1 4 44.20 1.17 2.0490 0 3 2 4 44.65 3.20 2.0295 1 3 2 4 44.91 4.19 2.0182 -6 0 2 2 44.93 5.24 2.0175 -2 1 3 4 45.21 1.63 2.0055 7 1 1 4 45.33 5.27 2.0008 6 0 2 2 46.17 2.23 1.9662 1 4 0 4 46.43 2.08 1.9558 -6 1 2 4 46.56 1.16 1.9505 -5 2 2 4 46.83 2.54 1.9400 6 1 2 4 47.71 1.52 1.9060 -3 3 2 4 47.91 1.69 1.8986 3 3 2 4 47.92 1.51 1.8983 0 2 3 4 47.99 4.82 1.8959 0 4 1 4 48.80 1.24 1.8660 8 1 0 4 49.55 3.46 1.8396 2 4 1 4 49.93 1.30 1.8265 4 1 3 4 50.76 6.67 1.7986 -6 2 2 4 50.80 1.08 1.7974 -8 1 1 4 51.14 7.90 1.7862 6 2 2 4 51.19 4.24 1.7845 -3 2 3 4 51.35 4.32 1.7794 -3 4 1 4 51.44 3.03 1.7764 3 4 1 4 51.47 3.38 1.7756 -5 0 3 2 51.47 3.48 1.7754 3 2 3 4 51.57 2.92 1.7722 -6 3 1 4 51.76 4.21 1.7662 6 3 1 4 51.81 4.44 1.7645 7 1 2 4 51.93 1.02 1.7608 5 0 3 2 53.63 1.32 1.7090 -5 3 2 4 54.23 9.13 1.6915 0 4 2 4 55.14 2.07 1.6657 5 4 0 4 55.39 1.69 1.6586 -8 0 2 2 55.42 1.31 1.6578 -7 2 2 4 55.56 4.44 1.6541 -9 0 1 2 55.82 3.59 1.6468 9 0 1 2 56.17 3.43 1.6376 -2 3 3 4 56.68 9.00 1.6240 -6 1 3 4 56.81 1.39 1.6205 -5 2 3 4 57.20 8.61 1.6104 6 1 3 4 57.46 1.06 1.6039 3 4 2 4 57.84 2.31 1.5940 -3 3 3 4 58.10 1.47 1.5876 3 3 3 4 58.34 1.09 1.5818 -1 1 4 4 58.45 2.24 1.5790 1 1 4 4 60.05 3.89 1.5406 0 5 1 4 60.50 1.71 1.5304 4 3 3 4 60.66 3.58 1.5266 -9 2 1 4 60.91 4.52 1.5209 9 2 1 4 61.18 8.80 1.5150 3 5 0 4 61.26 1.12 1.5132 -8 3 1 4 61.81 2.72 1.5010 0 2 4 4 62.16 1.09 1.4934 7 3 2 4 62.37 3.14 1.4889 -9 1 2 4 62.86 2.47 1.4784 9 1 2 4 63.00 1.16 1.4754 -2 2 4 4 63.22 1.47 1.4708 2 2 4 4 63.46 1.14 1.4659 10 1 1 4 63.46 1.01 1.4659 4 5 0 4 64.88 1.04 1.4372 3 2 4 4 65.05 3.02 1.4337 9 3 0 4 65.24 2.48 1.4301 7 2 3 4 65.86 1.12 1.4182 1 5 2 4 65.96 2.10 1.4163 -5 1 4 4 66.06 4.82 1.4143 -6 4 2 4 66.38 3.18 1.4083 6 4 2 4 66.43 3.01 1.4074 -3 4 3 4 66.67 4.20 1.4029 3 4 3 4 66.83 1.10 1.3999 2 5 2 4 67.80 1.29 1.3823 0 3 4 4 70.08 1.05 1.3427 -7 4 2 4 71.39 2.06 1.3212 -6 5 1 4 71.55 2.27 1.3188 6 5 1 4 74.07 3.58 1.2799 12 0 0 2 75.12 1.14 1.2647 -2 1 5 4 75.27 1.54 1.2626 -2 5 3 4 75.37 1.21 1.2611 2 1 5 4 76.71 1.44 1.2423 -12 1 1 4 78.08 1.13 1.2239 0 6 2 4 78.37 1.53 1.2202 -6 3 4 4 78.53 3.30 1.2181 12 2 0 4 78.96 1.78 1.2125 6 3 4 4 79.05 2.13 1.2114 4 1 5 4 79.72 1.13 1.2028 -8 5 1 4 80.03 1.09 1.1990 -12 2 1 4 82.81 1.19 1.1656 7 3 4 4 83.15 2.07 1.1618 9 5 0 4 85.78 1.11 1.1327 12 3 1 4 86.25 1.10 1.1278 10 3 3 4 87.65 1.93 1.1133 -9 4 3 4 88.31 1.40 1.1067 9 4 3 4 88.97 1.34 1.1002 3 6 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.