Lopezite Weakley T J R, Ylvisaker E R, Yager R J, Stephens J E, Wiegel R D, Mengis M, Wu P, Photinos P, Abrahams S C Acta Crystallographica B60 (2004) 705-715 Phase transitions in K2Cr3O7 and structural redetermination of phase II Locality: synthetic Sample: Crystal 2 _database_code_amcsd 0009932 CELL PARAMETERS: 7.3837 7.4622 13.3949 96.204 98.046 90.943 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 726.122 Density (g/cm3): 2.691 MAX. ABS. INTENSITY / VOLUME**2: 6.629881888 RIR: 0.802 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.99 4.58 6.8163 -1 0 1 2 13.03 3.66 6.7941 0 -1 1 2 13.44 16.35 6.5902 0 0 2 2 14.34 2.21 6.1748 0 1 1 2 14.68 8.97 6.0362 1 0 1 2 16.76 4.41 5.2901 -1 1 0 2 16.78 2.97 5.2829 -1 0 2 2 17.31 6.02 5.1230 1 1 0 2 17.43 16.96 5.0889 -1 -1 1 2 17.92 5.16 4.9502 -1 1 1 2 18.22 50.11 4.8697 1 -1 1 2 18.99 2.05 4.6738 0 1 2 2 19.67 22.40 4.5129 1 1 1 2 19.98 19.89 4.4437 -1 -1 2 2 21.29 4.02 4.1740 -1 1 2 2 23.81 11.03 3.7368 1 1 2 2 24.00 22.78 3.7073 0 2 0 2 24.24 1.09 3.6716 -1 -1 3 2 24.33 28.21 3.6577 -2 0 1 2 24.36 44.54 3.6536 2 0 0 2 25.68 96.17 3.4695 0 2 1 2 26.06 13.09 3.4199 -1 1 3 2 26.15 8.12 3.4081 -2 0 2 2 26.23 22.55 3.3970 0 -2 2 2 26.61 8.66 3.3498 -1 2 0 2 26.68 22.00 3.3412 1 -1 3 2 26.86 25.11 3.3198 -2 1 0 2 27.06 3.89 3.2954 -1 -2 1 2 27.06 96.11 3.2951 0 0 4 2 27.20 36.34 3.2787 -2 -1 1 2 27.24 6.89 3.2744 1 -2 1 2 27.56 17.38 3.2364 2 1 0 2 27.71 11.02 3.2195 -1 2 1 2 28.07 6.63 3.1785 -1 0 4 2 28.48 3.47 3.1337 -1 -2 2 2 28.92 3.61 3.0874 0 2 2 2 29.14 25.86 3.0646 -2 1 2 2 29.23 20.34 3.0552 1 2 1 2 29.48 2.64 3.0298 1 -2 2 2 29.48 3.89 3.0296 -2 0 3 2 29.52 15.74 3.0257 -1 -1 4 2 29.55 1.44 3.0229 2 1 1 2 29.60 20.68 3.0181 2 0 2 2 29.75 43.00 3.0032 0 -2 3 2 30.36 9.52 2.9444 -1 2 2 2 30.90 1.38 2.8938 0 1 4 2 31.12 41.35 2.8743 2 -1 2 2 31.33 20.79 2.8552 -2 -1 3 2 31.33 5.81 2.8551 1 0 4 2 31.38 3.23 2.8503 -1 -2 3 2 32.48 6.83 2.7564 -2 1 3 2 32.90 1.44 2.7226 2 1 2 2 33.05 5.34 2.7105 1 -2 3 2 33.31 3.23 2.6894 0 2 3 2 33.89 1.71 2.6451 -2 2 0 2 33.94 13.72 2.6414 -2 0 4 2 34.08 7.82 2.6308 2 0 3 2 34.23 2.77 2.6196 -1 2 3 2 34.34 4.87 2.6117 0 -2 4 2 34.42 6.93 2.6053 -2 2 1 2 34.47 7.30 2.6022 -2 -2 1 2 34.88 13.15 2.5719 1 1 4 2 35.27 2.22 2.5444 -2 -2 2 2 35.31 8.63 2.5420 -2 -1 4 2 35.43 2.64 2.5335 -1 -1 5 2 35.44 13.66 2.5330 -1 -2 4 2 36.30 10.25 2.4751 -2 2 2 2 36.87 3.43 2.4381 1 2 3 2 36.91 8.40 2.4351 2 2 1 2 37.28 1.09 2.4120 2 1 3 2 37.38 1.18 2.4059 -2 -2 3 2 37.41 1.86 2.4040 0 -3 2 2 37.46 1.70 2.4007 0 1 5 2 37.61 4.82 2.3918 1 -2 4 2 37.77 15.23 2.3820 -1 1 5 2 38.44 1.02 2.3418 -3 1 1 2 38.52 3.46 2.3369 0 2 4 2 38.53 1.63 2.3364 3 0 1 2 38.72 2.70 2.3257 -3 -1 1 2 39.11 2.18 2.3032 -1 3 1 2 39.19 5.11 2.2990 -2 0 5 2 39.21 1.57 2.2978 -1 -3 2 2 39.35 4.81 2.2899 2 0 4 2 39.59 2.07 2.2762 -3 1 2 2 39.67 2.98 2.2721 -3 0 3 2 39.71 2.20 2.2696 1 -3 2 2 40.06 3.41 2.2508 2 -1 4 2 40.16 7.22 2.2453 -2 -1 5 2 40.21 3.32 2.2427 2 -2 3 2 40.35 1.69 2.2353 -1 -2 5 2 40.60 1.12 2.2219 -2 -2 4 2 41.19 4.33 2.1915 1 1 5 2 41.21 4.07 2.1907 -1 -3 3 2 41.91 2.19 2.1557 -3 1 3 2 42.00 1.26 2.1514 1 2 4 2 42.03 4.06 2.1495 -2 1 5 2 42.30 4.25 2.1367 1 -3 3 2 42.44 8.33 2.1301 2 1 4 2 43.36 6.74 2.0870 -2 2 4 2 43.81 1.20 2.0663 -3 2 0 2 43.95 2.19 2.0600 3 1 2 2 43.96 10.27 2.0599 2 2 3 2 44.02 7.42 2.0570 2 -3 1 2 44.20 2.12 2.0490 -2 3 1 2 44.27 5.50 2.0461 -1 -3 4 2 44.27 1.69 2.0460 -1 1 6 2 44.33 10.11 2.0435 0 2 5 2 44.48 6.70 2.0369 -1 2 5 2 44.93 4.71 2.0173 2 3 0 2 45.06 1.75 2.0121 3 0 3 2 45.21 1.02 2.0057 -3 2 2 2 45.24 1.69 2.0045 -3 1 4 2 45.60 6.74 1.9893 2 -3 2 2 46.22 7.97 1.9641 -2 -3 3 2 46.69 3.95 1.9453 2 3 1 2 47.05 2.58 1.9315 -3 0 5 2 47.73 3.66 1.9056 1 2 5 2 47.75 3.55 1.9049 3 1 3 2 47.79 3.05 1.9031 -2 1 6 2 48.20 1.70 1.8880 2 -3 3 2 48.47 1.29 1.8782 -1 -1 7 2 48.70 5.68 1.8696 -2 3 3 2 48.74 1.12 1.8684 2 2 4 2 48.76 7.81 1.8675 -3 -2 4 2 48.76 2.48 1.8674 -2 -3 4 2 49.43 2.01 1.8440 -3 1 5 2 49.58 1.08 1.8387 0 -4 2 2 49.61 1.94 1.8375 3 0 4 2 49.86 6.51 1.8289 3 -2 3 2 50.36 2.68 1.8119 1 -4 1 2 50.48 1.33 1.8080 0 4 1 2 50.78 1.11 1.7981 -4 1 1 2 51.13 1.40 1.7864 -1 -4 2 2 51.21 7.73 1.7840 -4 -1 1 2 51.32 2.06 1.7805 0 -4 3 2 51.32 2.07 1.7803 -2 0 7 2 51.44 2.13 1.7763 -1 4 1 2 51.45 3.99 1.7761 -4 1 2 2 51.69 3.00 1.7683 2 -1 6 2 51.70 2.07 1.7680 2 -3 4 2 51.72 1.10 1.7675 -2 -1 7 2 51.93 3.19 1.7610 -3 0 6 2 51.93 3.76 1.7608 1 -1 7 2 52.15 1.51 1.7539 -3 -2 5 2 52.17 1.77 1.7533 -3 3 1 2 52.52 1.55 1.7424 3 -3 1 2 52.77 1.75 1.7346 1 4 1 2 52.82 2.10 1.7331 -3 -3 1 2 52.95 3.01 1.7293 -1 -3 6 2 53.47 5.84 1.7136 -3 3 2 2 53.47 2.25 1.7136 3 2 3 2 53.60 1.93 1.7100 -2 2 6 2 53.67 4.09 1.7077 3 3 0 2 54.04 1.02 1.6969 -2 1 7 2 54.06 1.91 1.6963 -3 -3 3 2 54.16 1.14 1.6935 3 -3 2 2 54.71 6.39 1.6778 4 -1 2 2 54.84 2.25 1.6740 1 1 7 2 55.34 5.87 1.6602 1 -3 6 2 55.47 1.66 1.6566 3 3 1 2 55.48 1.52 1.6562 -1 -1 8 2 55.71 1.07 1.6501 -3 3 3 2 56.00 1.19 1.6422 2 -3 5 2 56.18 1.13 1.6372 2 -4 2 2 56.37 1.04 1.6323 -1 4 3 2 56.92 2.61 1.6178 -2 -4 3 2 57.50 4.40 1.6027 0 -4 5 2 58.03 4.11 1.5894 -4 -1 5 2 58.22 1.62 1.5846 -2 -1 8 2 58.22 1.08 1.5846 2 -1 7 2 58.34 2.00 1.5817 3 -2 5 2 59.09 1.14 1.5633 -4 1 5 2 59.11 1.18 1.5629 -1 3 6 2 59.32 5.08 1.5579 0 3 6 2 59.69 3.47 1.5490 4 1 3 2 59.80 1.47 1.5465 1 -4 5 2 60.41 1.26 1.5323 -4 2 4 2 60.62 2.36 1.5275 1 2 7 2 60.66 2.59 1.5266 3 0 6 2 61.18 1.21 1.5148 -4 0 6 2 61.66 1.16 1.5043 3 3 3 2 61.84 1.17 1.5003 -2 3 6 2 62.16 1.05 1.4933 1 1 8 2 62.22 1.79 1.4920 -1 -4 6 2 62.55 1.93 1.4850 2 3 5 2 63.04 1.09 1.4746 4 -3 1 2 63.21 3.70 1.4710 -4 3 2 2 63.27 1.19 1.4697 -4 1 6 2 63.50 1.25 1.4651 -3 0 8 2 63.99 1.35 1.4551 0 -5 3 2 64.21 1.08 1.4506 1 -4 6 2 64.26 3.28 1.4495 -1 -3 8 2 64.38 3.75 1.4471 4 3 0 2 64.55 1.81 1.4437 -1 4 5 2 64.73 1.21 1.4401 4 -3 2 2 65.69 2.14 1.4215 -4 -3 4 2 65.76 1.38 1.4201 -1 1 9 2 65.91 2.01 1.4172 3 3 4 2 66.10 1.23 1.4136 -2 2 8 2 66.43 2.69 1.4074 4 -1 5 2 66.44 2.56 1.4072 0 1 9 2 66.49 1.39 1.4062 -4 -1 7 2 66.75 4.66 1.4013 -3 -2 8 2 67.02 1.63 1.3965 3 0 7 2 67.30 1.15 1.3913 -3 3 6 2 67.46 1.79 1.3883 1 4 5 2 69.11 1.16 1.3592 -2 -5 3 2 69.49 1.04 1.3527 -5 -2 3 2 69.49 2.43 1.3527 3 -2 7 2 70.09 2.13 1.3425 -3 0 9 2 70.56 1.24 1.3348 4 -3 4 2 71.38 1.03 1.3215 5 -2 2 2 71.74 1.08 1.3157 4 -1 6 2 72.11 1.08 1.3098 -2 4 6 2 72.38 1.68 1.3057 -5 0 6 2 72.40 1.11 1.3054 0 3 8 2 72.91 1.06 1.2975 -4 2 7 2 72.93 1.23 1.2970 -4 -4 1 2 73.67 1.70 1.2860 2 2 8 2 73.90 1.02 1.2824 3 0 8 2 73.95 1.45 1.2817 3 -5 1 2 74.33 1.03 1.2760 -5 3 0 2 75.04 1.30 1.2658 1 -5 6 2 75.44 1.20 1.2601 -3 -4 7 2 76.23 1.73 1.2490 3 5 0 2 76.83 1.25 1.2407 5 3 0 2 77.61 1.45 1.2301 -1 -5 7 2 77.80 1.64 1.2276 -1 -3 10 2 77.90 2.84 1.2264 -3 5 3 2 78.00 1.13 1.2250 -1 6 0 2 78.28 1.47 1.2214 -1 -6 2 2 78.44 1.05 1.2192 -6 0 3 2 80.17 1.25 1.1972 6 0 1 2 80.65 1.07 1.1913 3 5 2 2 81.08 1.29 1.1860 -1 6 2 2 81.41 2.37 1.1821 1 -3 10 2 82.00 1.09 1.1751 5 -2 5 2 82.88 2.03 1.1649 1 6 2 2 83.04 1.19 1.1630 3 -2 9 2 83.07 1.27 1.1627 1 -1 11 2 87.72 1.44 1.1126 0 3 10 2 88.16 1.24 1.1082 3 5 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.