Magnesio-fluoro-hastingsite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R141098 Bojar H P, Walter F European Journal of Mineralogy 18 (2006) 503-508 Fluoro-magnesiohastingsite from Dealul Uroi (Hunedoara county, Romania): Mineral data and crystal structure of a new amphibole end-member Locality: Dealul Uroi, Hunedoara county, Romania _database_code_amcsd 0020144 CELL PARAMETERS: 9.8540 18.0300 5.3010 90.000 105.270 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Na 0.00000 0.48190 0.00000 0.095 1.342 K 0.00000 0.48190 0.00000 0.040 1.342 Ca 0.00000 0.48190 0.00000 0.035 1.342 Na 0.05000 0.50000 0.10320 0.160 1.895 K 0.05000 0.50000 0.10320 0.065 1.895 Ca 0.05000 0.50000 0.10320 0.060 1.895 Ca 0.00000 0.27940 0.50000 1.000 0.576 Mg 0.00000 0.08710 0.50000 0.885 0.576 Ti 0.00000 0.08710 0.50000 0.045 0.576 Al 0.00000 0.08710 0.50000 0.040 0.576 Fe 0.00000 0.08710 0.50000 0.030 0.576 Mg 0.00000 0.17540 0.00000 0.690 0.537 Fe 0.00000 0.17540 0.00000 0.310 0.537 Mg 0.00000 0.00000 0.00000 0.880 0.529 Al 0.00000 0.00000 0.00000 0.050 0.529 Ti 0.00000 0.00000 0.00000 0.040 0.529 Fe 0.00000 0.00000 0.00000 0.030 0.529 Si 0.28220 0.08520 0.30530 0.525 0.466 Al 0.28220 0.08520 0.30530 0.475 0.466 Si 0.29140 0.17300 0.81430 0.960 0.442 Al 0.29140 0.17300 0.81430 0.040 0.442 O 0.10740 0.08650 0.21970 1.000 0.545 O 0.11910 0.17150 0.73180 1.000 0.600 F 0.10490 0.00000 0.71300 1.000 1.003 O 0.36600 0.25100 0.78850 1.000 0.679 O 0.35200 0.14040 0.11450 1.000 0.797 O 0.34700 0.11670 0.61320 1.000 0.837 O 0.34510 0.00000 0.28070 1.000 1.224 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: 5.446879023 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.81 34.00 9.0150 0 2 0 10.52 50.75 8.4089 1 1 0 17.46 1.84 5.0799 1 3 0 18.08 18.57 4.9061 -1 1 1 19.70 16.81 4.5075 0 4 0 19.96 1.35 4.4480 0 2 1 21.13 1.93 4.2045 2 2 0 22.35 4.77 3.9773 1 1 1 22.87 6.10 3.8879 -1 3 1 26.41 80.60 3.3743 1 3 1 27.27 46.76 3.2706 2 4 0 28.60 69.26 3.1209 3 1 0 29.41 3.73 3.0372 -3 1 1 29.73 1.55 3.0050 0 6 0 30.36 6.83 2.9441 -1 5 1 30.51 48.03 2.9301 2 2 1 31.93 19.18 2.8030 3 3 0 32.66 45.57 2.7419 -3 3 1 33.16 100.00 2.7013 1 5 1 34.62 64.24 2.5908 0 6 1 35.10 7.74 2.5569 0 0 2 35.20 73.43 2.5492 -2 0 2 36.53 1.67 2.4599 0 2 2 36.63 2.19 2.4531 -2 2 2 37.24 3.23 2.4142 -2 6 1 37.45 1.18 2.4014 3 1 1 37.80 8.67 2.3803 3 5 0 38.43 41.51 2.3425 -3 5 1 38.65 19.06 2.3296 -4 2 1 39.19 21.33 2.2990 -1 7 1 39.34 17.19 2.2905 -3 1 2 40.13 3.56 2.2472 3 3 1 40.56 1.08 2.2240 0 4 2 40.66 9.05 2.2190 -2 4 2 41.47 2.81 2.1777 1 7 1 41.88 41.29 2.1571 2 6 1 41.91 7.33 2.1555 -3 3 2 42.32 4.77 2.1356 -1 5 2 44.43 20.52 2.0389 2 0 2 44.70 19.01 2.0272 -4 0 2 45.08 19.52 2.0111 3 5 1 45.38 6.09 1.9987 3 7 0 45.62 1.56 1.9886 2 2 2 46.32 7.60 1.9603 1 9 0 46.71 3.70 1.9446 -3 5 2 47.32 1.53 1.9212 4 2 1 48.13 7.96 1.8907 5 1 0 48.40 3.17 1.8808 -4 6 1 48.84 8.91 1.8646 -1 9 1 48.91 1.65 1.8621 -5 3 1 49.04 3.81 1.8577 2 4 2 49.29 5.38 1.8488 -4 4 2 49.34 6.09 1.8472 -1 7 2 50.34 3.21 1.8127 5 3 0 50.63 3.80 1.8030 0 10 0 51.77 1.31 1.7660 3 1 2 52.09 4.87 1.7559 -5 1 2 53.87 1.26 1.7019 3 3 2 53.92 2.74 1.7004 0 10 1 54.17 2.03 1.6933 3 9 0 54.30 8.67 1.6894 -1 3 3 54.33 7.25 1.6885 -2 8 2 54.43 1.04 1.6858 2 10 0 54.65 3.18 1.6796 -3 9 1 54.81 8.01 1.6749 0 2 3 55.88 30.51 1.6454 4 6 1 56.25 8.79 1.6353 4 8 0 57.01 12.60 1.6153 1 11 0 58.23 5.26 1.5844 6 0 0 58.33 26.26 1.5819 -1 5 3 59.21 1.69 1.5604 6 2 0 59.27 1.50 1.5590 -5 7 1 59.69 9.45 1.5491 4 0 2 60.05 15.55 1.5406 -6 0 2 60.53 1.72 1.5296 5 7 0 60.65 1.55 1.5268 4 2 2 61.06 31.61 1.5177 -2 6 3 61.11 5.93 1.5164 1 9 2 61.25 2.47 1.5132 -3 9 2 61.53 4.10 1.5072 -4 8 2 61.74 14.12 1.5025 0 12 0 61.97 6.74 1.4974 5 5 1 63.16 3.44 1.4720 -2 10 2 63.40 2.11 1.4671 1 5 3 63.49 2.41 1.4653 2 2 3 63.50 2.36 1.4650 4 4 2 63.68 1.23 1.4613 3 7 2 63.85 2.85 1.4578 -6 4 2 63.95 6.66 1.4558 3 11 0 64.07 3.22 1.4533 -1 7 3 64.38 1.38 1.4471 -3 11 1 64.66 1.45 1.4416 0 12 1 64.74 39.71 1.4399 -6 6 1 64.92 2.05 1.4364 4 10 0 65.02 2.93 1.4345 -5 3 3 66.21 1.21 1.4115 -4 6 3 67.10 1.07 1.3949 6 2 1 68.66 6.30 1.3669 -5 5 3 69.09 13.73 1.3595 5 1 2 69.40 2.41 1.3542 7 1 0 70.31 9.71 1.3388 1 11 2 70.35 1.50 1.3383 -1 13 1 70.45 4.97 1.3366 -3 11 2 70.77 6.52 1.3314 2 6 3 70.87 3.28 1.3296 5 3 2 71.22 3.13 1.3240 -5 9 2 71.32 1.59 1.3224 -1 9 3 71.91 1.52 1.3131 1 13 1 72.01 9.28 1.3113 -7 5 1 72.09 7.12 1.3101 -1 1 4 72.22 1.78 1.3080 -3 1 4 73.00 1.39 1.2960 -3 9 3 73.04 4.74 1.2954 0 12 2 73.11 13.45 1.2944 -2 12 2 73.85 2.59 1.2833 -1 3 4 73.98 2.14 1.2813 -3 3 4 74.17 2.94 1.2785 0 0 4 74.21 2.50 1.2779 6 6 1 74.43 5.13 1.2746 -4 0 4 74.62 1.19 1.2719 -6 8 2 77.82 2.97 1.2274 -2 14 1 79.88 9.87 1.2008 -5 11 2 80.90 2.73 1.1883 8 0 0 82.32 1.38 1.1713 -6 10 2 82.88 1.44 1.1648 -8 4 2 83.27 5.96 1.1603 2 0 4 83.93 1.08 1.1530 1 15 1 84.53 2.25 1.1463 2 10 3 86.31 1.01 1.1271 5 9 2 86.53 1.17 1.1248 3 9 3 86.60 3.17 1.1241 7 9 0 87.14 3.11 1.1185 -6 4 4 87.84 1.54 1.1114 -7 7 3 87.94 2.08 1.1104 5 3 3 88.94 1.34 1.1005 0 16 1 89.14 1.30 1.0985 -1 9 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.