Al0.67 La3 Mo4.33 O14 McCarroll W, Podejko K, Cheetham A, Thomas D, DiSalvo F Journal of Solid State Chemistry 62 (1986) 241-252 The crystal structure of La3 Mo4.33 Al.67 O14 and the electronic structure of La3 Mo4 X O14 (X=Si, Mo1/3 Al2/3; Al1/2 V1/2) _cod_database_code 1005018 _database_code_amcsd 0013577 CELL PARAMETERS: 17.7500 5.6600 11.0700 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 1112.147 Density (g/cm3): 6.406 MAX. ABS. INTENSITY / VOLUME**2: 49.27417044 RIR: 2.505 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.42 1.18 9.3930 1 0 1 4 9.97 1.43 8.8750 2 0 0 2 16.78 30.51 5.2841 1 0 2 4 16.99 1.55 5.2181 3 0 1 4 17.60 9.95 5.0395 0 1 1 4 18.30 9.93 4.8479 1 1 1 8 18.59 17.07 4.7721 2 1 0 4 18.90 7.57 4.6965 2 0 2 4 20.26 4.17 4.3823 2 1 1 8 21.57 4.30 4.1189 4 0 1 4 21.99 2.63 4.0420 3 0 2 4 23.03 16.74 3.8625 1 1 2 8 23.18 1.91 3.8365 3 1 1 8 24.63 18.16 3.6143 2 1 2 8 25.51 43.32 3.4922 4 1 0 4 26.15 1.93 3.4072 2 0 3 4 26.36 2.32 3.3804 5 0 1 4 26.77 23.90 3.3304 4 1 1 8 27.11 15.75 3.2894 3 1 2 8 28.51 100.00 3.1310 3 0 3 4 28.88 12.23 3.0911 0 1 3 4 29.33 75.15 3.0453 1 1 3 8 30.21 39.35 2.9583 6 0 0 2 30.63 12.61 2.9191 2 1 3 8 30.81 4.30 2.9022 5 1 1 8 31.30 10.02 2.8580 6 0 1 4 31.53 15.34 2.8372 4 0 3 4 31.62 30.20 2.8300 0 2 0 2 32.69 3.26 2.7397 3 1 3 8 32.75 7.49 2.7345 1 0 4 4 33.06 6.42 2.7097 1 2 1 8 33.23 5.65 2.6962 2 2 0 4 33.92 17.62 2.6425 5 1 2 8 33.93 5.66 2.6420 2 0 4 4 34.20 25.03 2.6218 6 1 0 4 34.23 30.10 2.6197 2 2 1 8 35.08 2.37 2.5583 5 0 3 4 35.18 1.57 2.5512 6 1 1 8 35.63 14.03 2.5197 0 2 2 4 35.82 1.83 2.5068 3 0 4 4 36.00 8.67 2.4947 1 2 2 8 36.11 11.16 2.4877 3 2 1 8 36.35 2.33 2.4717 7 0 1 4 36.49 9.87 2.4622 1 1 4 8 37.70 6.18 2.3861 4 2 0 4 37.97 1.23 2.3694 6 1 2 8 38.33 1.04 2.3482 4 0 4 4 38.60 11.36 2.3325 4 2 1 8 38.62 1.02 2.3312 5 1 3 8 39.31 2.81 2.2921 3 1 4 8 40.49 6.22 2.2279 1 2 3 8 41.08 1.95 2.1970 1 0 5 4 41.20 14.50 2.1911 4 2 2 8 42.29 3.86 2.1373 6 1 3 8 43.09 11.70 2.0995 3 2 3 8 43.29 14.63 2.0898 7 0 3 4 43.83 6.09 2.0657 8 1 0 4 43.97 3.84 2.0594 8 0 2 4 44.07 33.81 2.0548 5 2 2 8 44.22 7.88 2.0481 1 1 5 8 44.29 1.91 2.0450 6 2 0 4 44.49 1.58 2.0365 5 1 4 8 44.85 1.54 2.0210 6 0 4 4 45.08 2.39 2.0110 6 2 1 8 45.26 12.97 2.0037 4 2 3 8 46.16 4.17 1.9665 1 2 4 8 46.31 23.21 1.9605 7 1 3 8 46.95 5.24 1.9353 8 1 2 8 47.05 8.21 1.9312 2 2 4 8 47.39 18.81 1.9182 6 2 2 8 47.94 8.34 1.8978 5 2 3 8 48.70 4.65 1.8699 4 1 5 8 48.70 7.28 1.8696 7 0 4 4 49.40 9.90 1.8450 0 0 6 2 49.64 2.44 1.8366 9 1 1 8 49.68 2.47 1.8351 1 0 6 4 50.11 1.32 1.8203 2 3 1 8 51.10 3.41 1.7873 7 2 2 8 51.24 4.38 1.7830 5 1 5 8 51.43 3.57 1.7768 1 3 2 8 51.48 4.50 1.7750 10 0 0 2 51.56 1.57 1.7726 6 0 5 4 51.91 2.62 1.7614 3 0 6 4 52.19 2.91 1.7526 10 0 1 4 52.25 5.05 1.7507 2 3 2 8 52.62 17.53 1.7394 9 0 3 4 52.72 2.52 1.7363 4 3 0 4 52.75 4.03 1.7354 1 2 5 8 52.89 3.82 1.7311 8 0 4 4 52.98 16.80 1.7283 5 2 4 8 53.10 10.70 1.7248 8 2 1 8 53.23 2.78 1.7209 2 1 6 8 53.42 6.32 1.7153 4 3 1 8 53.56 6.84 1.7111 2 2 5 8 53.61 5.92 1.7096 3 3 2 8 54.15 7.62 1.6937 10 1 0 4 54.57 11.35 1.6818 3 1 6 8 54.64 1.23 1.6798 0 3 3 4 54.89 13.67 1.6726 3 2 5 8 54.90 6.37 1.6724 1 3 3 8 55.16 1.05 1.6652 8 2 2 8 55.25 6.25 1.6626 9 1 3 8 55.51 2.10 1.6554 8 1 4 8 55.69 2.05 1.6505 2 3 3 8 55.80 1.93 1.6475 5 3 1 8 55.90 4.00 1.6447 6 2 4 8 56.40 1.97 1.6313 4 1 6 8 56.72 6.58 1.6230 4 2 5 8 57.37 1.54 1.6061 9 0 4 4 57.57 2.06 1.6010 9 2 1 8 57.74 3.49 1.5968 11 0 1 4 57.79 4.76 1.5953 5 3 2 8 57.98 4.33 1.5907 6 3 0 4 58.60 1.12 1.5752 1 0 7 4 58.63 2.23 1.5745 6 3 1 8 59.00 9.23 1.5655 6 0 6 4 59.36 1.10 1.5569 2 0 7 4 59.53 3.69 1.5529 1 3 4 8 60.11 1.93 1.5393 10 1 3 8 60.61 2.20 1.5278 3 0 7 4 60.82 1.13 1.5231 0 1 7 4 61.45 1.50 1.5088 6 1 6 8 62.07 2.74 1.4954 3 2 6 8 62.23 5.03 1.4919 7 0 6 4 62.33 3.50 1.4897 4 0 7 4 62.70 1.16 1.4819 9 2 3 8 62.82 1.02 1.4792 12 0 0 2 62.94 2.03 1.4767 8 2 4 8 63.02 2.62 1.4750 3 1 7 8 63.77 1.41 1.4596 4 2 6 8 64.90 3.86 1.4368 7 2 5 8 65.18 4.53 1.4313 1 3 5 8 65.80 3.27 1.4193 12 1 1 8 66.02 13.99 1.4150 0 4 0 2 66.80 3.67 1.4004 7 3 3 8 67.31 3.31 1.3912 8 3 2 8 67.33 6.22 1.3907 11 2 1 8 68.14 1.23 1.3760 8 1 6 8 68.70 2.34 1.3662 4 3 5 8 68.83 2.55 1.3641 2 2 7 8 69.13 11.21 1.3589 11 2 2 8 69.44 1.07 1.3535 11 1 4 8 69.80 1.79 1.3473 9 0 6 4 69.98 3.03 1.3444 3 2 7 8 70.78 3.63 1.3312 5 3 5 8 70.91 1.66 1.3290 2 1 8 8 71.49 1.86 1.3197 7 2 6 8 72.33 6.11 1.3064 9 2 5 8 73.21 1.78 1.2928 10 3 0 4 73.28 1.05 1.2918 6 3 5 8 73.44 9.77 1.2894 3 4 3 8 73.56 2.91 1.2875 3 3 6 8 74.03 1.68 1.2805 13 0 3 4 74.12 1.03 1.2791 10 0 6 4 74.15 1.56 1.2788 9 3 3 8 74.30 4.26 1.2765 6 4 0 4 74.36 5.47 1.2756 12 2 2 8 74.67 2.25 1.2712 12 1 4 8 74.70 1.83 1.2707 11 1 5 8 74.88 1.32 1.2681 6 4 1 8 75.01 2.01 1.2663 4 4 3 8 76.12 3.06 1.2505 11 2 4 8 76.32 1.70 1.2477 10 1 6 8 76.66 5.72 1.2431 0 2 8 4 77.09 1.08 1.2372 14 1 0 4 77.54 3.12 1.2311 2 2 8 8 78.51 1.02 1.2184 2 0 9 4 79.51 1.80 1.2055 9 1 7 8 79.61 1.84 1.2043 3 0 9 4 79.80 1.08 1.2019 12 1 5 8 79.91 1.15 1.2005 13 2 2 8 80.19 2.14 1.1970 4 2 8 8 80.98 1.16 1.1873 3 3 7 8 81.14 1.73 1.1853 4 0 9 4 82.25 1.27 1.1721 8 2 7 8 82.29 3.70 1.1717 7 4 3 8 83.51 3.27 1.1577 12 3 1 8 83.83 1.26 1.1541 12 0 6 4 84.12 3.00 1.1508 14 2 1 8 84.22 4.71 1.1496 8 1 8 8 84.55 5.76 1.1460 6 2 8 8 85.68 1.16 1.1337 15 1 2 8 85.79 1.33 1.1326 14 2 2 8 85.96 1.23 1.1308 12 1 6 8 86.20 1.82 1.1283 7 4 4 8 86.34 1.17 1.1268 15 0 3 4 86.72 2.87 1.1228 0 4 6 4 87.63 1.83 1.1135 6 1 9 8 88.04 2.50 1.1094 16 0 0 2 88.27 2.22 1.1071 2 3 8 8 88.33 1.59 1.1064 10 4 0 4 88.47 2.57 1.1051 15 1 3 8 89.23 5.87 1.0977 9 4 3 8 89.31 1.73 1.0969 4 5 0 4 89.44 1.15 1.0956 8 4 4 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.