Ca2 O7 P2 Boudin S, Grandin A, Borel M, Leclaire A, Raveau B Acta Crystallographica C49 (1993) 2062-2064 Redetermination of the beta-Ca2P2O7 structure _cod_database_code 1001556 _database_code_amcsd 0010288 CELL PARAMETERS: 6.6858 6.6858 24.1470 90.000 90.000 90.000 SPACE GROUP: P4_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 1079.369 Density (g/cm3): 3.127 MAX. ABS. INTENSITY / VOLUME**2: 7.186418802 RIR: 0.748 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.67 6.52 6.0367 0 0 4 1 15.15 2.92 5.8489 1 0 2 4 18.77 14.69 4.7276 1 1 0 4 19.82 1.42 4.4806 1 0 4 4 20.17 10.61 4.4021 1 1 2 4 21.80 4.15 4.0764 1 1 3 4 23.91 2.69 3.7220 1 1 4 4 25.84 2.09 3.4480 1 0 6 4 26.38 9.61 3.3783 1 1 5 4 26.67 39.70 3.3429 2 0 0 4 26.93 34.81 3.3113 2 0 1 4 27.69 55.94 3.2217 2 0 2 4 28.92 53.98 3.0872 2 0 3 4 29.13 1.31 3.0656 1 0 7 4 29.14 2.43 3.0645 1 1 6 4 29.60 100.00 3.0184 0 0 8 1 29.88 18.01 2.9900 1 2 0 4 29.88 1.12 2.9900 2 1 0 4 30.12 15.37 2.9673 2 1 1 4 30.12 20.69 2.9673 1 2 1 4 30.57 17.45 2.9244 2 0 4 4 30.81 7.22 2.9023 2 1 2 4 30.81 28.34 2.9023 1 2 2 4 31.93 24.44 2.8028 2 1 3 4 31.93 1.35 2.8028 1 2 3 4 32.12 27.78 2.7866 1 1 7 4 32.58 51.57 2.7486 2 0 5 4 33.44 14.35 2.6793 2 1 4 4 33.44 3.89 2.6793 1 2 4 4 34.89 8.46 2.5715 2 0 6 4 35.31 16.22 2.5422 2 1 5 4 35.31 6.94 2.5422 1 2 5 4 36.07 1.07 2.4900 1 0 9 4 37.46 5.42 2.4006 2 0 7 4 37.47 3.96 2.4001 2 1 6 4 37.47 2.90 2.4001 1 2 6 4 38.26 5.93 2.3525 2 2 1 4 38.58 21.20 2.3334 1 1 9 4 38.82 2.85 2.3197 2 2 2 4 39.69 1.74 2.2711 1 0 10 4 39.74 8.27 2.2680 2 2 3 4 39.90 4.58 2.2594 1 2 7 4 40.26 15.43 2.2403 2 0 8 4 40.48 7.21 2.2286 3 0 0 4 40.66 10.61 2.2192 3 0 1 4 41.01 4.58 2.2011 2 2 4 4 42.02 1.64 2.1504 1 1 10 4 42.07 8.29 2.1478 3 0 3 4 42.56 7.17 2.1242 1 2 8 4 42.56 4.22 2.1242 2 1 8 4 42.77 1.41 2.1142 1 3 0 4 42.94 2.61 2.1062 1 3 1 4 42.94 5.86 2.1062 3 1 1 4 43.24 9.74 2.0924 2 0 9 4 43.28 7.84 2.0907 3 0 4 4 43.45 2.03 2.0825 1 3 2 4 43.45 4.02 2.0825 3 1 2 4 44.30 4.19 2.0449 3 1 3 4 44.45 5.95 2.0382 2 2 6 4 44.79 4.72 2.0235 3 0 5 4 45.05 2.33 2.0122 0 0 12 1 45.42 8.57 1.9969 2 1 9 4 45.42 8.13 1.9969 1 2 9 4 45.45 2.75 1.9954 3 1 4 4 45.56 11.40 1.9910 1 1 11 4 46.39 9.10 1.9574 2 0 10 4 46.58 18.13 1.9499 2 2 7 4 46.91 1.78 1.9368 1 3 5 4 46.91 3.24 1.9368 3 1 5 4 48.46 5.13 1.8786 1 2 10 4 48.65 2.86 1.8717 1 3 6 4 48.65 1.91 1.8717 3 1 6 4 48.94 1.20 1.8610 2 2 8 4 49.13 8.24 1.8543 2 3 0 4 49.13 5.08 1.8543 3 2 0 4 49.21 2.15 1.8515 1 1 12 4 49.29 4.21 1.8489 2 3 1 4 49.69 10.28 1.8349 2 0 11 4 49.75 3.81 1.8328 2 3 2 4 49.75 5.91 1.8328 3 2 2 4 50.51 1.16 1.8070 3 2 3 4 50.64 1.40 1.8026 3 1 7 4 50.93 2.09 1.7929 3 0 8 4 51.53 1.28 1.7736 2 2 9 4 51.56 2.07 1.7726 2 3 4 4 51.56 3.63 1.7726 3 2 4 4 51.66 7.94 1.7695 2 1 11 4 51.66 5.09 1.7695 1 2 11 4 52.87 2.16 1.7317 3 1 8 4 52.89 1.69 1.7311 2 3 5 4 52.89 2.06 1.7311 3 2 5 4 53.12 1.34 1.7240 2 0 12 4 53.45 4.18 1.7143 3 0 9 4 54.31 3.65 1.6892 2 2 10 4 54.48 4.87 1.6841 2 3 6 4 54.48 3.97 1.6841 3 2 6 4 54.98 1.35 1.6701 1 0 14 4 55.01 1.14 1.6694 2 1 12 4 55.08 1.57 1.6675 4 0 1 4 55.32 1.12 1.6606 1 3 9 4 55.32 3.84 1.6606 3 1 9 4 56.33 5.69 1.6333 2 3 7 4 56.33 2.29 1.6333 3 2 7 4 56.69 5.45 1.6237 2 0 13 4 56.77 1.31 1.6215 4 1 0 4 56.82 3.28 1.6203 1 1 14 4 56.91 4.43 1.6179 1 4 1 4 56.91 1.63 1.6179 4 1 1 4 57.28 2.54 1.6085 2 2 11 4 57.33 5.30 1.6071 1 4 2 4 57.98 1.11 1.5907 3 1 10 4 58.02 1.84 1.5896 1 4 3 4 58.02 4.42 1.5896 4 1 3 4 58.41 5.17 1.5800 2 3 8 4 58.50 2.35 1.5778 2 1 13 4 58.58 2.69 1.5759 3 3 0 4 58.71 2.00 1.5725 3 3 1 4 59.07 3.06 1.5639 3 0 11 4 59.12 6.10 1.5626 3 3 2 4 59.92 1.43 1.5436 4 0 6 4 60.20 1.51 1.5372 1 4 5 4 60.20 6.52 1.5372 4 1 5 4 60.41 2.66 1.5322 2 2 12 4 60.71 1.03 1.5254 3 2 9 4 60.74 5.84 1.5248 3 3 4 4 60.78 3.34 1.5239 1 1 15 4 60.83 1.04 1.5228 1 3 11 4 61.44 1.31 1.5092 0 0 16 1 61.66 1.95 1.5042 4 0 7 4 61.67 3.15 1.5040 1 4 6 4 61.67 1.68 1.5040 4 1 6 4 62.13 1.10 1.4940 2 1 14 4 62.15 5.49 1.4935 3 0 12 4 62.22 1.37 1.4921 2 4 1 4 62.61 1.05 1.4837 4 2 2 4 63.38 3.20 1.4675 1 4 7 4 63.38 1.62 1.4675 4 1 7 4 63.39 1.72 1.4674 3 3 6 4 63.72 1.38 1.4605 2 2 13 4 63.86 3.44 1.4576 1 3 12 4 64.18 1.63 1.4512 4 2 4 4 64.22 1.48 1.4504 2 0 15 4 65.07 1.08 1.4334 3 3 7 4 65.32 1.38 1.4285 4 1 8 4 65.34 1.21 1.4281 2 4 5 4 65.83 1.49 1.4187 4 0 9 4 65.94 2.18 1.4166 2 3 11 4 65.94 2.75 1.4166 3 2 11 4 66.99 1.34 1.3969 3 3 8 4 67.07 1.58 1.3954 3 1 13 4 67.19 1.14 1.3933 2 2 14 4 67.49 2.88 1.3878 1 4 9 4 67.49 1.45 1.3878 4 1 9 4 68.18 1.26 1.3755 2 0 16 4 68.24 1.28 1.3743 4 0 10 4 68.85 1.99 1.3636 2 3 12 4 69.04 2.25 1.3603 1 1 17 4 69.13 1.36 1.3588 3 3 9 4 69.81 1.22 1.3473 1 2 16 4 69.87 3.18 1.3462 1 4 10 4 70.41 1.68 1.3372 4 3 0 4 70.82 3.39 1.3306 2 2 15 4 70.91 1.11 1.3290 4 3 2 4 70.91 3.40 1.3290 3 4 2 4 71.49 3.57 1.3197 3 3 10 4 71.76 1.18 1.3153 1 0 18 4 72.36 1.46 1.3059 2 4 9 4 72.39 1.77 1.3055 3 4 4 4 72.47 1.98 1.3043 1 4 11 4 72.47 6.98 1.3043 4 1 11 4 73.36 1.06 1.2905 1 1 18 4 73.49 1.26 1.2887 3 4 5 4 73.49 1.16 1.2887 5 0 5 4 74.01 1.14 1.2808 1 3 15 4 74.01 1.34 1.2808 3 1 15 4 74.82 1.99 1.2690 3 4 6 4 75.24 1.89 1.2629 3 2 14 4 76.18 2.81 1.2496 3 0 16 4 77.25 1.74 1.2350 2 5 2 4 77.75 1.51 1.2283 1 3 16 4 77.85 1.21 1.2270 2 5 3 4 78.19 1.96 1.2226 4 3 8 4 78.26 1.93 1.2216 4 1 13 4 79.75 1.84 1.2024 5 2 5 4 80.12 1.72 1.1978 3 0 17 4 80.21 1.22 1.1968 4 3 9 4 82.45 1.48 1.1698 5 0 10 4 82.45 1.22 1.1698 3 4 10 4 82.90 1.33 1.1646 4 2 13 4 84.61 1.64 1.1453 5 3 1 4 84.92 2.28 1.1420 5 0 11 4 84.97 1.98 1.1415 5 3 2 4 84.97 1.56 1.1415 3 5 2 4 86.41 1.44 1.1261 3 3 15 4 87.42 1.62 1.1156 3 5 5 4 88.57 1.37 1.1041 2 5 10 4 88.71 2.80 1.1027 3 5 6 4 89.54 1.34 1.0946 6 1 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.