Jahnsite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070733 Kampf A R, Steele I M, Loomis T A American Mineralogist 93 (2008) 940-945 Jahnsite-(NaFeMg), a new mineral from the Tip Top mine, Custer County, South Dakota: Description and crystal structure Locality: Tip Top mine, Custer County, South Dakota _database_code_amcsd 0004587 CELL PARAMETERS: 15.0060 7.2010 9.9990 90.000 110.490 90.000 SPACE GROUP: P2/a ATOM X Y Z OCCUPANCY ISO(B) Na 0.25000 0.97010 0.00000 1.000 1.603 Fe 0.25000 0.47130 0.00000 1.000 0.655 Mg 0.50000 0.00000 0.50000 1.000 0.987 Mg 0.25000 0.50570 0.50000 1.000 0.876 Fe 0.00000 0.00000 0.00000 1.000 0.663 Fe 0.00000 0.50000 0.00000 1.000 0.671 P 0.18700 0.26770 0.18560 1.000 0.703 P 0.08000 0.74190 0.79630 1.000 0.734 O 0.27890 0.25100 0.14890 1.000 1.240 O 0.20820 0.31030 0.34350 1.000 1.476 O 0.12640 0.09290 0.14110 1.000 1.390 O 0.14050 0.43780 0.08100 1.000 0.947 O 0.18370 0.66820 0.85990 1.000 1.303 O 0.05740 0.78220 0.63640 1.000 1.176 O 0.07500 0.92170 0.87770 1.000 1.311 O 0.01260 0.59280 0.81730 1.000 1.050 Oh 0.02740 0.75090 0.09920 1.000 1.105 O 0.22720 0.72640 0.34200 1.000 2.132 O 0.44840 0.21260 0.34820 1.000 2.353 O 0.62690 0.98690 0.45650 1.000 2.250 O 0.39070 0.51520 0.51610 1.000 1.666 H 0.99600 0.74900 0.16200 1.000 3.948 H 0.25800 0.71700 0.27800 1.000 3.948 H 0.16700 0.74800 0.29300 1.000 3.948 H 0.43400 0.29800 0.40500 1.000 3.948 H 0.39500 0.20100 0.26900 1.000 3.948 H 0.61800 0.04600 0.37100 1.000 3.948 H 0.65900 0.88400 0.45200 1.000 3.948 H 0.41600 0.60500 0.47800 1.000 3.948 H 0.42500 0.49100 0.60600 1.000 3.948 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 12 +/- 6 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 14.90762531 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.44 100.00 9.3664 0 0 1 12.29 7.44 7.2010 0 1 0 12.59 3.73 7.0283 2 0 0 13.82 4.42 6.4090 1 1 0 15.46 7.46 5.7328 -1 1 1 15.52 3.81 5.7088 0 1 1 17.63 17.59 5.0297 2 1 0 17.97 22.53 4.9349 1 1 1 18.24 1.39 4.8635 2 0 1 18.73 1.74 4.7368 -2 0 2 18.95 13.64 4.6832 0 0 2 21.64 4.72 4.1063 -1 1 2 22.47 4.51 3.9574 -2 1 2 22.64 10.65 3.9273 3 1 0 24.95 10.02 3.5686 -3 1 2 25.28 1.79 3.5229 1 1 2 25.34 12.99 3.5142 4 0 0 25.83 12.21 3.4497 -4 0 2 26.52 4.22 3.3607 0 2 1 26.80 1.22 3.3261 -4 1 1 26.88 2.01 3.3163 -2 0 3 27.07 9.35 3.2936 3 1 1 27.84 3.73 3.2045 2 2 0 27.95 5.33 3.1920 -2 2 1 28.06 1.49 3.1796 1 2 1 28.26 2.67 3.1582 4 1 0 29.13 3.19 3.0658 2 1 2 30.13 22.25 2.9664 4 0 1 30.92 6.91 2.8920 -3 1 3 30.95 13.10 2.8897 -4 0 3 31.34 62.20 2.8544 0 2 2 33.31 1.01 2.6897 -5 1 2 33.88 1.54 2.6455 1 1 3 34.24 2.74 2.6188 5 1 0 34.53 21.98 2.5972 -4 2 1 35.70 1.53 2.5149 4 2 0 36.91 1.15 2.4351 -5 1 3 36.94 2.15 2.4337 -1 2 3 36.97 1.37 2.4317 4 0 2 37.99 3.90 2.3684 -4 0 4 38.15 2.29 2.3588 0 2 3 38.29 2.39 2.3507 -6 1 1 38.54 4.25 2.3359 -6 1 2 38.78 1.61 2.3221 -1 1 4 40.01 1.00 2.2536 -4 2 3 42.95 1.59 2.1058 6 0 1 43.20 1.86 2.0943 1 1 4 43.67 1.29 2.0726 -3 3 2 43.88 1.48 2.0635 1 3 2 44.54 1.48 2.0343 5 2 1 44.98 7.37 2.0152 4 2 2 45.09 2.12 2.0106 4 0 3 45.86 6.03 1.9787 -4 2 4 45.94 2.85 1.9755 -6 1 4 46.25 12.52 1.9630 0 2 4 46.26 3.40 1.9627 -4 0 5 46.36 3.15 1.9586 2 3 2 47.23 1.36 1.9244 -3 1 5 48.55 11.65 1.8751 -8 0 2 48.60 1.05 1.8733 0 0 5 49.70 2.54 1.8344 1 3 3 50.71 7.08 1.8003 0 4 0 51.68 1.22 1.7686 -1 4 1 52.10 3.27 1.7554 4 2 3 52.89 1.24 1.7312 -2 3 4 53.10 2.21 1.7248 -8 0 4 53.15 2.41 1.7233 -4 2 5 54.62 1.86 1.6804 0 4 2 55.89 1.12 1.6450 3 3 3 57.52 2.37 1.6022 4 4 0 57.77 2.09 1.5960 -4 4 2 58.45 8.62 1.5791 8 2 0 59.19 3.62 1.5611 0 0 6 59.42 4.50 1.5556 -8 2 4 60.12 3.32 1.5390 4 4 1 60.39 5.34 1.5329 4 2 4 60.60 2.16 1.5280 -4 4 3 61.58 5.52 1.5061 -4 2 6 64.06 1.14 1.4535 -8 2 5 64.39 1.34 1.4469 4 4 2 65.08 1.22 1.4332 -4 4 4 65.39 1.56 1.4272 0 4 4 68.41 2.03 1.3714 8 2 2 69.70 1.88 1.3491 4 2 5 70.19 2.48 1.3409 -8 2 6 71.03 1.54 1.3271 -4 2 7 72.83 3.86 1.2986 -8 4 2 74.67 1.78 1.2711 4 0 6 76.18 1.06 1.2497 -4 0 8 81.63 1.18 1.1794 0 4 6 83.07 1.33 1.1626 0 6 2 87.64 1.03 1.1134 0 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.