Dmitryivanovite Lazic B, Kahlenberg V, Konzett J Zeitschrift fur Kristallographie 222 (2007) 690-695 Structural studies on a stuffed framework high pressure polymorph of CaAl2O4 Locality: synthetic _database_code_amcsd 0011130 CELL PARAMETERS: 7.9719 8.6284 10.2628 90.000 94.801 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 703.445 Density (g/cm3): 2.984 MAX. ABS. INTENSITY / VOLUME**2: 7.848596902 RIR: 0.856 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.43 3.04 6.5948 0 1 1 4 15.16 5.30 5.8442 1 1 0 4 17.00 13.40 5.2143 -1 1 1 4 17.34 2.18 5.1134 0 0 2 2 17.94 19.62 4.9447 1 1 1 4 19.85 1.31 4.4734 -1 0 2 2 20.19 2.07 4.3989 0 1 2 4 22.38 15.17 3.9719 2 0 0 2 23.47 2.29 3.7912 1 2 0 4 24.67 3.85 3.6080 2 1 0 4 24.72 17.78 3.6020 -1 2 1 4 25.38 9.50 3.5094 1 2 1 4 26.82 1.88 3.3241 2 1 1 4 28.15 5.17 3.1705 0 1 3 4 28.75 5.55 3.1054 -1 2 2 4 29.19 100.00 3.0596 -2 1 2 4 29.51 5.72 3.0268 -1 1 3 4 29.61 2.21 3.0168 2 0 2 2 30.59 82.10 2.9221 2 2 0 4 31.18 4.17 2.8687 1 1 3 4 31.41 48.38 2.8478 2 1 2 4 32.33 20.96 2.7687 0 3 1 4 32.38 1.16 2.7651 2 2 1 4 33.50 2.14 2.6747 0 2 3 4 34.68 4.92 2.5868 -1 2 3 4 35.10 41.36 2.5567 0 0 4 2 35.82 49.83 2.5068 0 3 2 4 35.86 4.45 2.5045 -3 1 1 4 35.99 3.63 2.4954 -1 0 4 2 36.13 8.32 2.4860 1 2 3 4 36.34 4.55 2.4723 2 2 2 4 36.66 6.07 2.4513 0 1 4 4 37.16 12.39 2.4193 -1 3 2 4 37.27 1.37 2.4127 3 1 1 4 37.52 2.54 2.3972 -1 1 4 4 37.86 10.74 2.3764 1 0 4 2 38.08 25.77 2.3629 1 3 2 4 38.39 4.25 2.3445 -3 1 2 4 38.65 3.18 2.3295 2 3 0 4 39.24 1.57 2.2959 -2 3 1 4 39.33 3.49 2.2911 1 1 4 4 39.36 1.52 2.2893 -2 2 3 4 39.62 6.18 2.2749 3 0 2 2 39.95 2.67 2.2568 3 2 0 4 40.12 1.17 2.2476 2 3 1 4 40.31 8.27 2.2376 -3 2 1 4 41.04 2.76 2.1995 0 2 4 4 41.06 10.13 2.1983 0 3 3 4 41.72 10.93 2.1651 -2 1 4 4 41.88 3.18 2.1571 0 4 0 2 41.94 1.34 2.1540 2 2 3 4 42.05 2.54 2.1487 -1 3 3 4 42.62 5.66 2.1213 -3 2 2 4 42.75 10.28 2.1150 -3 1 3 4 43.29 2.79 2.0898 1 3 3 4 43.47 2.80 2.0817 1 4 0 4 43.47 1.77 2.0817 2 3 2 4 43.68 1.77 2.0723 2 0 4 2 45.58 2.29 1.9902 0 1 5 4 45.65 2.00 1.9875 0 4 2 4 45.68 19.11 1.9860 4 0 0 2 45.69 6.95 1.9857 -2 2 4 4 46.36 1.69 1.9587 3 1 3 4 46.62 2.89 1.9481 3 3 0 4 46.95 1.08 1.9354 4 1 0 4 47.31 1.75 1.9214 -3 0 4 2 47.72 2.64 1.9059 -4 0 2 2 47.99 11.32 1.8956 2 4 0 4 48.49 4.53 1.8773 -2 4 1 4 48.54 3.04 1.8754 -3 1 4 4 48.75 21.73 1.8680 2 2 4 4 49.24 2.08 1.8507 2 4 1 4 49.31 2.12 1.8482 0 2 5 4 50.04 3.92 1.8229 3 2 3 4 50.60 1.25 1.8040 4 2 0 4 50.69 2.26 1.8011 4 0 2 2 50.71 1.05 1.8001 -4 2 1 4 51.20 1.52 1.7843 3 3 2 4 51.86 6.56 1.7631 4 1 2 4 52.11 1.04 1.7552 -3 2 4 4 52.49 1.35 1.7433 -4 2 2 4 54.90 2.10 1.6724 3 4 0 4 55.10 1.60 1.6668 0 3 5 4 55.18 7.78 1.6646 -3 4 1 4 55.20 1.05 1.6641 -1 1 6 4 55.45 1.82 1.6571 -3 1 5 4 56.20 3.63 1.6368 3 4 1 4 56.22 2.08 1.6361 -4 0 4 2 57.03 1.13 1.6150 -3 4 2 4 57.22 3.77 1.6100 -1 5 2 4 57.70 7.09 1.5977 -3 3 4 4 57.74 2.17 1.5967 4 3 1 4 58.06 4.49 1.5887 -4 3 2 4 58.07 9.21 1.5885 -2 1 6 4 58.48 3.91 1.5783 -1 2 6 4 58.73 2.20 1.5721 -2 5 1 4 59.13 4.49 1.5625 5 1 0 4 59.39 1.82 1.5563 2 5 1 4 59.54 3.18 1.5527 -2 4 4 4 60.34 1.96 1.5339 -3 4 3 4 60.42 4.41 1.5321 3 1 5 4 60.52 1.67 1.5299 -5 1 2 4 60.52 1.71 1.5298 -4 2 4 4 60.67 4.51 1.5265 4 3 2 4 60.67 9.15 1.5264 -2 5 2 4 60.69 3.82 1.5259 5 1 1 4 61.47 3.22 1.5084 4 0 4 2 61.95 4.91 1.4979 2 5 2 4 61.96 8.11 1.4978 2 1 6 4 62.11 8.49 1.4944 2 4 4 4 62.22 5.37 1.4921 -5 2 1 4 62.26 1.12 1.4911 -3 0 6 2 63.21 4.61 1.4710 3 4 3 4 63.41 7.93 1.4669 -5 1 3 4 63.44 26.41 1.4663 0 3 6 4 63.62 1.38 1.4625 -5 2 2 4 64.03 1.79 1.4542 -2 5 3 4 64.83 7.71 1.4381 0 6 0 2 65.33 2.73 1.4283 -4 4 2 4 65.55 4.02 1.4241 0 6 1 4 65.82 2.15 1.4189 -2 4 5 4 66.35 1.95 1.4089 -2 3 6 4 66.39 1.36 1.4082 -3 5 2 4 66.44 2.32 1.4071 -5 2 3 4 66.72 1.22 1.4020 5 2 2 4 67.65 2.59 1.3849 -5 1 4 4 68.70 2.72 1.3663 -2 5 4 4 68.86 2.39 1.3634 2 4 5 4 69.52 2.98 1.3522 2 6 0 4 69.97 1.98 1.3445 2 3 6 4 70.23 1.62 1.3402 -2 2 7 4 70.40 1.35 1.3374 0 4 6 4 70.96 5.36 1.3282 5 2 3 4 71.16 3.33 1.3250 0 6 3 4 71.22 1.57 1.3240 6 0 0 2 72.00 2.12 1.3116 -3 1 7 4 74.07 1.12 1.2800 -5 4 1 4 74.12 2.30 1.2792 5 4 0 4 74.13 1.25 1.2790 -1 0 8 2 74.18 1.82 1.2783 0 0 8 2 74.58 1.62 1.2725 -2 5 5 4 75.13 1.36 1.2645 0 1 8 4 75.91 2.50 1.2534 0 6 4 4 76.44 1.56 1.2460 4 5 2 4 76.45 1.04 1.2460 -1 6 4 4 77.60 1.87 1.2303 4 1 6 4 78.20 1.70 1.2224 -4 3 6 4 79.78 1.40 1.2021 -5 1 6 4 80.06 1.97 1.1986 -2 2 8 4 80.34 2.45 1.1951 5 1 5 4 81.62 1.60 1.1796 -2 5 6 4 81.89 1.83 1.1764 0 6 5 4 81.91 1.48 1.1762 -5 4 4 4 82.26 1.90 1.1720 5 4 3 4 82.48 1.32 1.1694 -5 5 1 4 82.53 3.11 1.1688 5 5 0 4 82.55 3.21 1.1686 -5 2 6 4 82.97 1.05 1.1637 -4 6 1 4 83.88 1.29 1.1535 -2 7 2 4 84.07 1.39 1.1514 6 3 2 4 84.37 1.69 1.1480 -3 2 8 4 84.59 2.80 1.1456 2 2 8 4 84.67 1.35 1.1447 -4 4 6 4 85.01 3.68 1.1410 4 3 6 4 85.01 2.33 1.1410 2 5 6 4 85.34 1.49 1.1375 6 0 4 2 86.31 1.21 1.1272 -5 5 3 4 88.55 1.35 1.1043 2 7 3 4 88.96 1.86 1.1003 -3 3 8 4 89.00 1.69 1.0999 -3 7 2 4 89.41 1.65 1.0959 -7 1 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.