Kosmochlor Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120015 Secco L, Martignago F, Dal Negro A, Reznitskii L Z, Sklyarov E V American Mineralogist 87 (2002) 709-714 Crystal chemistry of Cr-V-rich clinopyroxenes Sample 1 _database_code_amcsd 0002806 CELL PARAMETERS: 9.5720 8.7094 5.2678 90.000 107.498 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Si 0.29165 0.09132 0.23581 1.000 0.321 Cr 0.00000 0.90618 0.25000 0.478 0.358 V 0.00000 0.90618 0.25000 0.428 0.358 Mg 0.00000 0.90618 0.25000 0.056 0.358 Al 0.00000 0.90618 0.25000 0.033 0.358 Ti 0.00000 0.90618 0.25000 0.003 0.358 Fe 0.00000 0.90618 0.25000 0.001 0.358 Mn 0.00000 0.90618 0.25000 0.001 0.358 Ca 0.00000 0.30078 0.25000 0.055 0.872 Na 0.00000 0.30078 0.25000 0.945 0.872 O 0.11430 0.07965 0.13983 1.000 0.472 O 0.36076 0.25718 0.30565 1.000 0.605 O 0.35267 0.01016 0.00964 1.000 0.543 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 7 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 15.82167754 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.05 29.62 6.3016 1 1 0 19.45 1.73 4.5645 2 0 0 20.19 15.44 4.3985 -1 1 1 20.39 19.56 4.3547 0 2 0 24.85 5.87 3.5826 1 1 1 27.10 1.39 3.2906 0 2 1 28.33 4.68 3.1508 2 2 0 30.19 100.00 2.9601 -2 2 1 31.13 47.37 2.8727 3 1 0 31.17 9.76 2.8694 -3 1 1 35.59 24.83 2.5225 -1 3 1 35.62 1.07 2.5203 -1 1 2 35.74 40.23 2.5120 0 0 2 36.68 37.86 2.4502 2 2 1 40.35 5.05 2.2354 3 1 1 41.36 17.18 2.1828 1 1 2 41.50 2.73 2.1759 0 2 2 43.06 3.44 2.1005 3 3 0 43.09 18.09 2.0992 -3 3 1 43.58 10.32 2.0766 -4 2 1 44.92 9.41 2.0180 -4 0 2 45.40 7.90 1.9978 0 4 1 46.19 5.43 1.9653 2 0 2 46.57 1.66 1.9503 -1 3 2 47.44 6.41 1.9163 -2 4 1 48.81 2.82 1.8659 -5 1 1 49.80 2.38 1.8309 -4 2 2 50.45 2.49 1.8090 3 3 1 51.11 1.90 1.7870 5 1 0 51.31 1.26 1.7808 1 3 2 52.12 2.07 1.7547 2 4 1 53.15 2.09 1.7232 4 2 1 53.56 10.29 1.7110 1 5 0 54.96 3.52 1.6706 3 1 2 55.08 2.08 1.6673 -3 1 3 55.77 1.01 1.6483 -1 5 1 55.88 6.34 1.6453 0 4 2 56.64 15.95 1.6252 -2 2 3 57.78 16.12 1.5958 -5 3 1 58.60 6.94 1.5754 4 4 0 60.89 3.95 1.5215 6 0 0 60.97 5.08 1.5195 -6 0 2 61.32 5.50 1.5117 3 5 0 61.82 1.14 1.5008 -4 2 3 61.95 2.18 1.4980 -6 2 1 62.12 11.79 1.4942 -1 3 3 62.69 4.89 1.4819 4 0 2 63.45 1.47 1.4662 -3 3 3 64.04 1.51 1.4539 -5 1 3 64.16 5.30 1.4516 0 6 0 66.67 2.66 1.4029 4 2 2 67.35 10.05 1.3903 -3 5 2 67.83 15.83 1.3817 5 3 1 68.01 2.09 1.3785 1 5 2 68.72 4.88 1.3659 2 2 3 68.78 3.30 1.3648 -2 4 3 71.62 7.93 1.3176 -7 1 2 71.80 3.83 1.3147 -5 3 3 73.17 5.43 1.2934 -3 1 4 73.41 1.99 1.2898 7 1 0 73.54 2.92 1.2878 6 2 1 74.47 1.70 1.2740 -4 0 4 75.36 1.43 1.2613 -2 6 2 75.67 8.13 1.2568 0 6 2 75.73 3.64 1.2560 0 0 4 77.99 1.18 1.2251 4 4 2 78.58 7.18 1.2174 3 5 2 79.26 1.63 1.2087 -1 7 1 81.07 2.17 1.1862 1 7 1 83.85 3.48 1.1538 -6 0 4 84.14 1.40 1.1506 -8 2 1 85.00 1.11 1.1411 8 0 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.