Kurchatovite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130074 Callegari A, Mazzi F, Tadini C European Journal of Mineralogy 15 (2003) 277-282 Modular aspects of the crystal structures of kurchatovite and clinokurchatovite Locality: Solongo, Siberia _database_code_amcsd 0006973 CELL PARAMETERS: 36.3890 11.1810 5.5150 90.000 90.000 90.000 SPACE GROUP: Pbca ATOM X Y Z OCCUPANCY ISO(B) Ca 0.02961 0.87294 0.11592 1.000 0.910 Ca 0.13593 0.11800 0.68468 1.000 0.930 Ca 0.19752 0.88076 0.87266 1.000 0.970 Mg 0.07920 0.12820 0.13950 1.000 0.830 Mg 0.08800 0.87170 0.63530 1.000 0.840 Mg 0.24560 0.13090 -0.09410 1.000 0.800 B 0.05830 0.12440 0.62270 1.000 0.860 B 0.10840 0.88450 0.14190 1.000 0.850 B 0.22380 0.11640 0.40630 1.000 0.830 B 0.00380 0.11980 0.34880 1.000 0.840 B 0.16340 0.87700 0.40400 1.000 0.830 B 0.16970 0.12300 0.14290 1.000 0.780 O 0.07300 0.19810 0.79330 1.000 0.890 O 0.08930 0.80460 0.28170 1.000 0.900 O 0.24220 0.19580 0.26240 1.000 0.910 O 0.08010 0.05000 0.48820 1.000 0.940 O 0.09090 -0.04420 -0.02290 1.000 0.980 O 0.24190 0.04530 0.56760 1.000 0.980 O 0.01960 0.12730 0.58410 1.000 1.010 O 0.14680 0.89260 0.17100 1.000 1.030 O 0.18520 0.10900 0.37910 1.000 0.990 O 0.02320 0.08220 0.15220 1.000 0.940 O 0.14470 -0.09580 0.61030 1.000 0.940 O 0.18910 0.09060 -0.05780 1.000 0.930 O 0.03160 0.84150 0.66820 1.000 1.110 O 0.13510 0.16940 0.13070 1.000 1.090 O 0.19820 0.83280 0.40360 1.000 1.130 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 33 +/- 10 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 7.479684600 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.61 2.46 6.0648 6 0 0 16.63 10.10 5.3311 6 1 0 18.59 1.64 4.7728 2 1 1 20.44 3.86 4.3453 4 1 1 21.73 3.21 4.0908 5 1 1 23.18 1.94 3.8378 2 2 1 23.21 2.53 3.8330 6 1 1 24.70 4.79 3.6047 4 2 1 24.85 1.48 3.5833 7 1 1 25.78 2.04 3.4554 5 2 1 26.62 3.08 3.3481 8 1 1 28.49 8.82 3.1330 7 2 1 29.46 3.55 3.0324 12 0 0 30.07 16.89 2.9721 8 2 1 30.54 21.20 2.9267 12 1 0 31.77 2.13 2.8167 9 2 1 32.02 100.00 2.7952 0 4 0 32.56 1.60 2.7497 11 1 1 33.32 56.68 2.6889 3 0 2 33.58 19.25 2.6689 10 2 1 33.97 2.54 2.6389 4 0 2 34.30 10.31 2.6144 3 1 2 34.70 2.22 2.5852 12 1 1 35.36 9.05 2.5386 6 4 0 35.48 16.51 2.5298 11 2 1 36.11 6.96 2.4875 1 4 1 36.33 6.48 2.4730 0 2 2 36.37 2.56 2.4702 2 4 1 36.80 1.27 2.4422 3 4 1 36.90 8.23 2.4361 13 1 1 37.47 2.74 2.3999 12 2 1 38.15 1.61 2.3587 5 4 1 38.17 1.22 2.3580 8 0 2 39.15 5.23 2.3009 14 1 1 39.35 9.03 2.2900 6 2 2 39.56 33.20 2.2781 9 0 2 39.94 1.04 2.2573 11 3 1 40.11 3.03 2.2481 7 4 1 41.07 1.21 2.1978 10 0 2 41.29 4.79 2.1864 8 4 1 42.60 1.22 2.1222 9 4 1 43.11 6.67 2.0981 6 5 0 43.47 2.36 2.0820 6 3 2 43.81 1.20 2.0663 16 1 1 43.98 1.50 2.0590 2 5 1 44.03 3.87 2.0568 10 4 1 44.83 33.04 2.0216 18 0 0 44.86 3.09 2.0206 4 5 1 45.18 1.68 2.0070 12 1 2 45.51 3.42 1.9931 5 5 1 45.60 15.78 1.9894 18 1 0 45.62 2.10 1.9885 14 3 1 46.21 1.10 1.9645 17 1 1 46.30 1.75 1.9610 6 5 1 46.88 45.44 1.9378 3 4 2 47.22 2.08 1.9250 7 5 1 47.38 3.16 1.9189 4 4 2 47.44 3.46 1.9165 12 2 2 48.26 1.81 1.8858 8 5 1 50.08 8.56 1.8214 15 0 2 50.73 3.60 1.7998 12 5 0 50.79 8.73 1.7977 15 1 2 51.29 1.16 1.7813 6 6 0 51.42 5.95 1.7770 18 3 0 51.77 7.76 1.7659 9 4 2 52.97 2.58 1.7285 3 2 3 53.28 5.21 1.7193 3 5 2 53.42 9.97 1.7150 4 2 3 54.00 3.57 1.6981 5 2 3 54.10 1.58 1.6951 6 6 1 54.46 1.27 1.6849 8 1 3 54.92 7.95 1.6717 7 6 1 55.14 2.35 1.6656 13 5 1 55.51 1.98 1.6554 7 2 3 55.86 8.83 1.6458 8 6 1 56.15 11.51 1.6381 18 4 0 56.21 2.75 1.6364 15 3 2 56.44 1.59 1.6303 8 2 3 56.82 1.52 1.6204 14 5 1 56.91 1.17 1.6179 9 6 1 57.48 1.89 1.6032 9 2 3 58.07 7.41 1.5884 10 6 1 58.64 2.05 1.5744 10 2 3 59.33 7.95 1.5575 11 6 1 59.89 2.49 1.5444 11 2 3 60.69 9.32 1.5260 15 4 2 60.70 1.86 1.5257 12 6 1 62.16 1.93 1.4932 13 6 1 62.71 2.77 1.4816 13 2 3 63.40 3.31 1.4672 21 0 2 64.26 5.18 1.4496 14 2 3 65.90 1.50 1.4173 15 2 3 66.17 5.61 1.4122 15 5 2 66.95 2.56 1.3976 0 8 0 67.99 3.41 1.3787 0 0 4 68.64 1.59 1.3673 20 5 1 71.57 1.07 1.3183 26 2 1 72.24 1.05 1.3079 1 6 3 72.40 1.36 1.3053 2 6 3 72.80 4.24 1.2991 21 4 2 73.22 1.11 1.2928 22 5 1 75.62 1.12 1.2575 23 5 1 75.80 1.33 1.2549 24 5 0 76.87 5.29 1.2401 3 8 2 77.14 5.97 1.2365 0 4 4 77.19 1.59 1.2358 1 4 4 78.21 1.52 1.2222 22 1 3 79.09 1.26 1.2109 27 0 2 79.64 1.22 1.2038 27 1 2 79.88 2.01 1.2009 22 2 3 83.32 1.12 1.1598 26 5 1 84.05 1.10 1.1516 27 3 2 85.19 1.08 1.1391 18 0 4 86.70 1.08 1.1231 25 6 1 87.87 1.06 1.1111 27 4 2 88.10 1.41 1.1088 15 8 2 89.32 1.06 1.0967 26 6 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.