Jarlite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R050667 Hawthorne F C The Canadian Mineralogist 21 (1983) 553-560 The crystal structure of jarlite CELL PARAMETERS: 15.9360 10.8160 7.2710 90.000 101.875 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Sr 0.00000 0.00000 0.00000 0.910 0.721 Na 0.00000 0.00000 0.00000 0.090 0.721 Sr 0.26010 0.00000 0.12320 0.810 0.854 Na 0.26010 0.00000 0.12320 0.190 0.854 Sr 0.35030 0.19640 0.69660 0.870 0.811 Na 0.35030 0.19640 0.69660 0.130 0.811 Al 0.16400 0.00000 0.54120 1.000 0.800 Al 0.10730 0.24580 0.79820 1.000 0.709 Na 0.00000 0.50000 0.00000 1.000 1.436 Mg 0.00000 0.50000 0.50000 1.000 0.837 O 0.42900 0.00000 0.70780 1.000 0.788 F 0.24350 0.00000 0.75620 1.000 1.481 F 0.09440 0.00000 0.31740 1.000 2.688 F 0.11610 0.37050 0.96880 1.000 1.218 F 0.22760 0.11680 0.45390 1.000 1.468 F 0.21810 0.25940 0.80610 1.000 1.299 F 0.00340 0.22800 0.21000 1.000 1.507 F 0.08810 0.36270 0.61210 1.000 2.295 F 0.09840 0.12160 0.61950 1.000 2.269 F 0.12740 0.13500 0.99180 1.000 1.284 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 14 +/- 9 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 8.403254611 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.35 31.20 7.7975 2 0 0 12.44 3.97 7.1154 0 0 1 15.01 6.09 5.9026 -1 1 1 15.03 16.98 5.8945 -2 0 1 16.39 6.14 5.4080 0 2 0 16.85 5.69 5.2617 1 1 1 18.94 3.13 4.6853 3 1 0 20.63 9.32 4.3056 0 2 1 20.67 2.54 4.2962 -3 1 1 22.31 6.21 3.9849 -2 2 1 22.81 12.88 3.8987 4 0 0 24.61 50.94 3.6171 3 1 1 25.03 6.92 3.5577 0 0 2 25.29 3.49 3.5220 -2 0 2 25.36 21.73 3.5127 1 3 0 25.86 56.00 3.4452 -1 1 2 27.80 22.63 3.2094 -1 3 1 28.09 5.10 3.1769 1 1 2 28.22 98.17 3.1626 4 2 0 28.27 26.42 3.1563 4 0 1 28.55 20.53 3.1264 -3 1 2 28.86 30.94 3.0934 1 3 1 28.92 68.42 3.0876 -4 2 1 29.67 22.29 3.0112 2 0 2 29.98 16.20 2.9808 -5 1 1 30.07 100.00 2.9722 0 2 2 30.17 28.89 2.9625 3 3 0 30.28 28.83 2.9513 -2 2 2 30.33 31.46 2.9472 -4 0 2 31.32 24.14 2.8564 -3 3 1 32.85 1.49 2.7260 4 2 1 33.13 24.14 2.7040 0 4 0 34.08 3.15 2.6308 2 2 2 34.12 11.58 2.6278 3 3 1 34.21 3.03 2.6214 -6 0 1 34.66 5.83 2.5879 -4 2 2 34.70 6.99 2.5851 5 1 1 35.13 3.14 2.5544 -5 1 2 35.52 10.00 2.5276 0 4 1 36.78 1.36 2.4436 1 3 2 37.94 5.80 2.3718 0 0 3 38.11 12.13 2.3616 -1 1 3 38.15 1.92 2.3589 -6 2 1 38.22 2.35 2.3545 2 4 1 38.29 5.64 2.3509 -5 3 1 38.43 10.73 2.3426 6 2 0 39.27 1.27 2.2940 6 0 1 40.23 22.84 2.2414 -4 0 3 40.50 6.72 2.2274 1 1 3 40.60 26.94 2.2219 4 4 0 40.98 15.20 2.2025 -2 2 3 41.12 46.76 2.1954 -4 4 1 41.24 1.63 2.1892 4 2 2 41.91 36.65 2.1557 3 3 2 41.97 21.91 2.1528 0 4 2 42.04 21.26 2.1493 2 0 3 42.06 8.58 2.1481 -6 2 2 42.17 1.59 2.1427 1 5 0 42.20 13.20 2.1416 5 3 1 42.56 19.37 2.1241 -5 3 2 43.72 1.95 2.0706 -4 2 3 43.74 6.83 2.0696 -5 1 3 44.10 7.64 2.0535 4 4 1 44.50 14.56 2.0358 1 5 1 45.06 18.30 2.0119 2 4 2 45.12 4.45 2.0093 -1 3 3 45.41 12.22 1.9974 2 2 3 45.41 17.87 1.9972 3 5 0 45.53 2.29 1.9925 -4 4 2 45.65 43.07 1.9872 -8 0 1 45.89 11.82 1.9774 7 1 1 45.98 10.61 1.9737 3 1 3 46.14 9.51 1.9675 -3 3 3 46.20 12.12 1.9648 -6 0 3 46.23 1.64 1.9637 -3 5 1 46.59 24.18 1.9494 8 0 0 47.22 8.72 1.9247 1 3 3 48.00 11.84 1.8952 7 3 0 48.29 4.31 1.8845 3 5 1 48.36 10.32 1.8821 -6 4 1 48.59 2.45 1.8739 6 4 0 48.83 3.94 1.8652 -8 2 1 48.88 11.74 1.8632 4 0 3 49.00 24.80 1.8589 -1 5 2 49.35 3.19 1.8467 -6 2 3 49.58 8.21 1.8386 5 3 2 50.12 15.00 1.8201 -5 3 3 50.20 18.28 1.8173 -2 0 4 50.33 2.69 1.8130 1 5 2 50.44 5.75 1.8093 -7 3 2 50.46 26.82 1.8086 6 2 2 50.61 15.67 1.8035 -3 5 2 50.64 6.59 1.8027 0 6 0 50.73 4.62 1.7998 -2 4 3 50.83 3.11 1.7963 -7 1 3 50.95 8.05 1.7925 4 4 2 51.06 1.91 1.7886 8 0 1 51.23 6.95 1.7831 0 4 3 51.36 2.16 1.7788 0 0 4 51.45 17.39 1.7761 -8 2 2 51.51 13.59 1.7741 -5 5 1 51.65 7.93 1.7697 -6 4 2 51.91 3.51 1.7616 4 2 3 51.92 1.50 1.7610 -4 0 4 53.07 5.93 1.7256 -4 4 3 53.13 3.76 1.7239 -2 6 1 53.51 2.94 1.7126 7 1 2 54.00 21.10 1.6982 8 2 1 54.38 5.02 1.6871 2 6 1 54.54 1.44 1.6827 -5 1 4 54.67 7.25 1.6789 5 5 1 54.83 2.87 1.6744 -4 2 4 55.28 2.29 1.6617 2 0 4 56.34 1.08 1.6329 -6 0 4 56.62 3.96 1.6256 -4 6 1 56.93 7.01 1.6175 -1 3 4 57.24 3.04 1.6094 -8 2 3 57.30 2.10 1.6080 0 6 2 57.43 1.43 1.6047 -2 6 2 57.56 4.83 1.6013 -8 4 1 57.97 4.59 1.5909 -3 5 3 58.07 13.63 1.5884 2 2 4 58.07 10.99 1.5884 -9 3 1 58.36 3.26 1.5813 8 4 0 58.90 5.41 1.5681 1 5 3 59.01 3.32 1.5654 4 6 1 59.02 3.61 1.5650 6 4 2 59.10 6.71 1.5632 -6 2 4 59.16 3.68 1.5618 9 3 0 59.31 3.26 1.5581 1 3 4 59.41 2.11 1.5558 5 3 3 59.79 2.02 1.5467 2 6 2 59.89 7.36 1.5445 -9 1 3 60.07 1.19 1.5401 -5 3 4 60.17 1.39 1.5378 -4 6 2 61.43 2.81 1.5093 -1 7 1 61.48 18.82 1.5083 -2 4 4 61.69 3.30 1.5037 -7 5 2 62.01 2.47 1.4967 1 7 1 62.53 2.33 1.4854 -6 6 1 62.73 3.80 1.4811 3 7 0 63.09 3.20 1.4736 -8 0 4 63.12 4.85 1.4730 7 5 1 63.19 4.88 1.4715 3 5 3 63.39 2.67 1.4673 -3 7 1 63.66 1.59 1.4617 10 0 1 64.05 1.32 1.4538 -2 0 5 64.95 1.34 1.4359 -11 1 1 64.98 3.52 1.4352 0 6 3 65.07 1.26 1.4333 3 7 1 65.12 2.66 1.4324 9 1 2 65.22 3.86 1.4305 -8 4 3 66.33 1.96 1.4093 -11 1 2 66.95 8.67 1.3977 -10 2 3 67.18 5.26 1.3934 -7 5 3 67.86 5.62 1.3812 2 6 3 67.92 2.55 1.3801 1 1 5 68.23 4.39 1.3745 6 4 3 68.58 4.36 1.3684 7 3 3 68.89 3.97 1.3630 8 4 2 69.46 2.55 1.3532 7 5 2 69.53 4.63 1.3520 0 8 0 69.55 2.55 1.3517 2 0 5 69.65 1.38 1.3500 1 5 4 69.89 5.81 1.3458 -3 3 5 69.96 5.38 1.3447 6 0 4 70.20 3.50 1.3408 -1 3 5 70.26 3.79 1.3398 3 7 2 70.35 4.16 1.3383 -5 5 4 70.54 1.35 1.3352 -8 6 1 70.72 2.67 1.3321 -5 7 2 70.76 1.51 1.3314 8 2 3 70.78 3.28 1.3311 10 0 2 70.81 5.84 1.3307 -6 2 5 70.96 1.89 1.3282 0 8 1 71.00 2.30 1.3276 -12 0 1 71.18 3.72 1.3246 5 3 4 71.25 1.12 1.3235 8 6 0 71.32 1.28 1.3224 -11 3 2 71.47 1.03 1.3199 -7 1 5 71.61 5.42 1.3178 -2 8 1 72.05 1.25 1.3107 -12 0 2 72.59 2.04 1.3023 -1 7 3 72.67 4.35 1.3011 2 8 1 72.77 1.86 1.2996 12 0 0 72.80 2.25 1.2991 -9 3 4 73.03 1.25 1.2955 4 6 3 73.32 2.02 1.2911 9 5 1 73.35 1.26 1.2907 -3 7 3 73.44 6.43 1.2893 -12 2 1 73.67 2.52 1.2859 10 4 1 74.08 2.21 1.2798 -2 6 4 74.24 2.56 1.2774 4 8 0 74.59 1.11 1.2723 -4 8 1 74.77 2.39 1.2697 7 7 0 74.90 1.01 1.2678 -4 4 5 75.06 7.98 1.2655 -9 5 3 75.18 2.75 1.2638 0 8 2 75.19 1.93 1.2636 12 2 0 75.81 3.28 1.2549 11 3 1 76.42 3.77 1.2463 -5 7 3 77.79 1.26 1.2278 3 3 5 79.14 1.57 1.2102 -6 6 4 79.15 1.69 1.2100 -2 0 6 79.36 1.56 1.2073 -13 1 2 79.63 1.79 1.2040 6 4 4 79.63 1.87 1.2040 -3 1 6 79.65 1.73 1.2037 -11 5 1 79.81 5.60 1.2017 9 5 2 79.82 1.43 1.2016 -6 8 1 79.99 3.59 1.1994 6 8 0 80.93 3.27 1.1879 -11 5 2 80.97 1.06 1.1874 8 6 2 81.09 1.00 1.1859 0 0 6 81.10 1.66 1.1858 -5 1 6 81.11 3.67 1.1858 11 5 0 81.41 3.30 1.1821 -10 4 4 81.52 6.53 1.1808 -2 2 6 81.63 1.14 1.1794 -12 4 2 81.63 1.77 1.1794 10 6 0 81.64 3.14 1.1793 -2 8 3 81.68 5.81 1.1789 -10 0 5 81.97 1.56 1.1755 -10 6 2 82.00 1.72 1.1751 -1 7 4 82.04 1.69 1.1746 0 8 3 82.09 2.93 1.1740 -6 0 6 82.21 2.08 1.1726 -11 3 4 82.32 2.49 1.1713 12 4 0 82.41 4.84 1.1703 1 5 5 82.70 6.03 1.1669 10 2 3 82.75 1.86 1.1664 11 3 2 82.97 1.46 1.1638 -9 7 1 84.47 2.13 1.1469 3 9 1 84.70 1.20 1.1444 2 8 3 85.02 1.03 1.1409 -8 6 4 85.28 2.91 1.1381 2 0 6 85.35 1.71 1.1373 -12 4 3 85.76 3.92 1.1329 -7 5 5 86.32 2.90 1.1270 6 2 5 87.19 1.32 1.1179 3 5 5 87.29 2.01 1.1170 0 6 5 87.52 3.29 1.1146 -13 3 3 87.88 1.71 1.1110 8 8 0 88.16 2.30 1.1081 1 3 6 88.45 4.78 1.1053 6 8 2 89.00 1.38 1.0999 -13 1 4 89.22 3.99 1.0977 -8 8 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.