Mangano-ferri-eckermannite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070122 Barkley M C, Yang H, Downs R T Acta Crystallographica E66 (2010) i83-i83 Kozulite, a Mn-rich alkali amphibole Locality: Tanohata mine, Iwate Prefecture, Tohoku Region, Honshu Island, Japan _database_code_amcsd 0017887 CELL PARAMETERS: 9.9090 18.1040 5.2980 90.000 104.030 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) K 0.52110 0.00000 0.05337 0.104 1.180 Na 0.55616 0.00000 0.12976 0.187 1.180 Na 0.50000 -0.02152 0.00000 0.073 1.180 Na 0.53855 -0.01917 0.10320 0.056 1.180 Na 0.00000 0.27152 0.50000 0.800 1.730 Ca 0.00000 0.27152 0.50000 0.090 1.730 Mn 0.00000 0.27152 0.50000 0.110 1.730 Mn 0.00000 0.08447 0.50000 0.453 0.737 Mg 0.00000 0.08447 0.50000 0.547 0.737 Mn 0.00000 0.18224 0.00000 0.766 0.738 Mg 0.00000 0.18224 0.00000 0.234 0.738 Mn 0.00000 0.00000 0.00000 0.257 0.538 Mg 0.00000 0.00000 0.00000 0.743 0.538 Si 0.28233 0.08429 0.28706 1.000 0.677 Si 0.28734 0.16909 0.79054 1.000 0.717 O 0.11555 0.08452 0.21268 1.000 0.850 O 0.11918 0.16575 0.71697 1.000 1.153 OH 0.10330 0.00000 0.71178 1.000 1.034 O 0.35819 0.24732 0.79012 1.000 1.410 O 0.34710 0.12714 0.07418 1.000 1.054 O 0.34473 0.11704 0.57692 1.000 1.072 O 0.34279 0.00000 0.28842 1.000 1.220 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 16 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 7.692598475 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.77 2.83 9.0520 0 2 0 10.42 100.00 8.4906 1 1 0 17.35 1.93 5.1111 1 3 0 18.16 10.42 4.8847 -1 1 1 19.61 22.62 4.5260 0 4 0 19.86 5.66 4.4697 0 2 1 22.05 7.35 4.0312 1 1 1 22.90 10.31 3.8831 -1 3 1 24.16 5.52 3.6832 -2 2 1 26.12 67.49 3.4111 1 3 1 26.24 1.23 3.3968 0 4 1 26.30 1.44 3.3884 1 5 0 27.06 33.77 3.2951 2 4 0 28.28 70.65 3.1554 3 1 0 29.47 4.11 3.0310 -3 1 1 29.67 1.00 3.0107 -2 4 1 30.03 15.82 2.9753 2 2 1 30.33 1.48 2.9471 -1 5 1 31.61 18.10 2.8302 3 3 0 32.69 26.87 2.7394 -3 3 1 32.88 91.42 2.7241 1 5 1 34.22 2.39 2.6202 -1 1 2 34.47 39.82 2.6021 0 6 1 34.91 1.75 2.5700 0 0 2 35.39 65.66 2.5364 -2 0 2 35.96 1.91 2.4975 1 7 0 37.42 2.02 2.4034 4 0 0 37.48 2.71 2.3997 3 5 0 38.41 29.91 2.3436 -3 5 1 38.61 7.22 2.3317 -4 2 1 39.09 13.52 2.3041 -1 7 1 39.50 1.71 2.2814 3 3 1 39.59 18.44 2.2765 -3 1 2 40.78 3.72 2.2127 -2 4 2 41.17 8.42 2.1927 1 7 1 41.44 36.69 2.1791 2 6 1 42.13 7.77 2.1448 -3 3 2 43.79 17.88 2.0675 2 0 2 44.47 11.99 2.0372 3 5 1 44.96 9.90 2.0161 -4 0 2 45.85 1.86 1.9791 -3 7 1 46.10 5.81 1.9689 1 9 0 46.12 2.52 1.9683 1 5 2 46.52 4.12 1.9520 4 2 1 46.87 2.45 1.9382 -3 5 2 47.56 3.27 1.9119 5 1 0 48.29 5.31 1.8846 -4 6 1 48.40 2.35 1.8806 2 4 2 48.70 5.21 1.8699 -1 9 1 48.77 1.49 1.8674 -5 3 1 49.49 4.10 1.8416 -4 4 2 49.77 1.13 1.8319 5 3 0 50.41 2.51 1.8104 0 10 0 50.45 2.32 1.8089 1 9 1 52.30 6.49 1.7492 -5 1 2 52.69 1.31 1.7372 1 7 2 53.05 2.08 1.7263 -5 5 1 54.13 1.48 1.6942 2 10 0 54.23 7.36 1.6915 -1 3 3 54.33 7.06 1.6886 -2 8 2 54.51 1.26 1.6834 0 2 3 54.51 1.73 1.6833 -3 9 1 55.11 25.83 1.6665 4 6 1 55.80 7.71 1.6476 4 8 0 56.75 9.96 1.6222 1 11 0 56.81 1.22 1.6207 -6 2 1 57.52 5.06 1.6022 6 0 0 58.23 20.47 1.5845 -1 5 3 58.60 3.89 1.5752 4 0 2 58.83 2.45 1.5697 2 10 1 60.20 9.36 1.5372 -6 0 2 60.65 2.86 1.5268 1 9 2 61.02 6.10 1.5185 5 5 1 61.11 16.24 1.5164 -2 6 3 61.46 10.74 1.5087 0 12 0 62.32 3.38 1.4899 0 6 3 62.42 2.78 1.4877 4 4 2 62.67 2.65 1.4825 2 2 3 62.83 1.05 1.4789 1 5 3 63.09 1.12 1.4735 -2 10 2 63.55 5.08 1.4640 3 11 0 63.93 4.42 1.4563 -1 7 3 63.96 2.23 1.4555 -6 4 2 64.33 2.21 1.4482 -4 10 1 64.43 1.18 1.4460 4 10 0 64.44 27.50 1.4459 -6 6 1 65.43 1.50 1.4265 -5 3 3 66.50 1.74 1.4060 -4 6 3 66.94 1.20 1.3978 -1 11 2 67.78 11.38 1.3826 5 1 2 68.52 3.09 1.3694 7 1 0 69.03 4.20 1.3605 -5 5 3 69.56 2.89 1.3515 5 3 2 69.82 6.12 1.3471 1 11 2 69.93 4.90 1.3452 2 6 3 70.30 1.15 1.3391 7 3 0 70.40 2.68 1.3374 -3 11 2 71.13 1.14 1.3255 -1 9 3 71.25 2.15 1.3235 -5 9 2 71.59 5.95 1.3180 -7 5 1 71.92 4.93 1.3128 -1 1 4 72.67 3.63 1.3011 0 12 2 72.96 14.58 1.2966 -2 12 2 73.05 1.16 1.2952 6 6 1 73.52 1.44 1.2882 3 5 3 73.66 1.34 1.2860 -1 3 4 73.73 4.74 1.2850 0 0 4 74.22 1.69 1.2778 4 12 0 74.87 4.90 1.2682 -4 0 4 76.78 1.06 1.2414 -7 7 1 77.46 1.36 1.2321 6 0 2 77.52 1.28 1.2314 -2 14 1 79.81 1.98 1.2017 8 0 0 79.84 6.62 1.2013 -5 11 2 82.22 2.97 1.1725 2 0 4 82.28 1.06 1.1718 -6 10 2 85.64 2.25 1.1342 7 9 0 86.24 1.15 1.1278 5 13 0 88.48 1.13 1.1050 0 16 1 88.81 2.34 1.1018 3 1 4 89.55 1.22 1.0946 5 5 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.