Orthoericssonite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070615 Matsubara S Mineralogical Journal 10 (1980) 107-121 The crystal structure of orthoericssonite Locality: Hijikuzu mine, Iwate Prefecture, japan CELL PARAMETERS: 20.3690 6.9927 5.3998 90.000 90.000 90.000 SPACE GROUP: Pnmn ATOM X Y Z OCCUPANCY ISO(B) Ba 0.22483 0.00000 0.16440 0.700 0.760 Sr 0.22483 0.00000 0.16440 0.300 0.760 Mn 0.00000 0.25960 0.00000 0.700 0.730 Fe 0.00000 0.25960 0.00000 0.300 0.850 Mn 0.00000 0.00000 0.50000 0.700 0.730 Fe 0.00000 0.00000 0.50000 0.300 0.530 Mn 0.00000 0.50000 0.50000 0.700 0.850 Fe 0.00000 0.50000 0.50000 0.300 0.530 Fe 0.14291 0.50000 0.16630 0.900 0.410 Ti 0.14291 0.50000 0.16630 0.100 0.410 Si 0.13640 0.22620 0.66440 1.000 0.420 O 0.05070 0.00000 0.16570 1.000 1.220 O 0.15820 0.00000 0.66240 1.000 1.360 O 0.05670 0.24650 0.66170 1.000 0.810 O 0.17080 0.30870 0.91370 1.000 1.040 O 0.17220 0.30860 0.41800 1.000 0.980 O 0.05230 0.50000 0.17300 1.000 0.590 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 18 +/- 6 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 17.19559464 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.39 4.69 6.6138 1 1 0 17.42 21.43 5.0922 4 0 0 18.60 1.13 4.7707 2 0 1 21.02 1.59 4.2262 3 0 1 21.24 16.54 4.1828 1 1 1 22.56 21.41 3.9409 2 1 1 24.02 11.52 3.7047 4 0 1 24.61 100.00 3.6169 3 1 1 25.30 20.21 3.5200 5 1 0 25.48 11.62 3.4964 0 2 0 26.25 38.95 3.3948 6 0 0 26.96 24.11 3.3069 2 2 0 27.24 36.91 3.2737 4 1 1 27.43 6.14 3.2521 5 0 1 30.31 79.08 2.9488 5 1 1 30.78 6.06 2.9048 1 2 1 31.03 22.52 2.8823 4 2 0 31.12 17.59 2.8740 6 0 1 31.73 83.01 2.8201 2 2 1 33.26 85.92 2.6939 3 2 1 33.35 36.40 2.6865 7 1 0 33.48 40.05 2.6765 1 0 2 33.72 13.35 2.6583 6 1 1 34.36 26.91 2.6098 2 0 2 35.03 4.03 2.5616 7 0 1 35.25 10.71 2.5461 8 0 0 35.30 2.35 2.5428 4 2 1 36.76 1.01 2.4450 2 1 2 36.91 7.61 2.4356 6 2 0 37.39 6.07 2.4053 7 1 1 37.71 12.27 2.3854 4 0 2 37.78 18.95 2.3813 5 2 1 39.11 8.23 2.3030 8 0 1 39.93 8.81 2.2576 4 1 2 40.06 3.49 2.2505 5 0 2 40.64 4.77 2.2202 6 2 1 40.94 1.50 2.2046 3 3 0 41.96 14.68 2.1533 9 1 0 42.18 5.05 2.1423 5 1 2 42.23 1.72 2.1400 0 3 1 42.29 6.31 2.1369 0 2 2 42.47 6.64 2.1283 1 3 1 42.54 34.54 2.1253 1 2 2 42.79 17.30 2.1131 6 0 2 43.20 2.09 2.0943 2 3 1 43.26 6.90 2.0914 2 2 2 43.35 2.38 2.0873 9 0 1 43.81 26.94 2.0664 7 2 1 43.99 2.42 2.0582 8 2 0 44.38 13.95 2.0410 3 3 1 44.45 13.49 2.0384 3 2 2 44.48 1.23 2.0369 10 0 0 44.80 15.75 2.0231 5 3 0 44.81 17.85 2.0228 6 1 2 45.34 2.61 2.0001 9 1 1 45.85 2.62 1.9792 7 0 2 46.00 7.22 1.9729 4 3 1 46.06 1.31 1.9705 4 2 2 47.72 5.32 1.9058 10 0 1 47.76 4.14 1.9044 7 1 2 48.02 13.56 1.8945 5 3 1 49.19 1.73 1.8524 8 0 2 49.58 1.04 1.8387 10 1 1 50.15 9.93 1.8192 7 3 0 50.41 1.86 1.8104 6 3 1 50.95 4.85 1.7922 9 2 1 51.00 10.06 1.7906 8 1 2 51.02 3.70 1.7900 11 1 0 52.03 1.12 1.7578 1 3 2 52.22 1.42 1.7516 11 0 1 52.33 32.71 1.7482 0 4 0 52.65 3.22 1.7385 2 3 2 52.78 7.14 1.7344 9 0 2 53.12 2.54 1.7240 7 3 1 53.32 5.95 1.7181 2 1 3 53.97 1.90 1.6991 11 1 1 54.51 1.89 1.6834 9 1 2 54.86 15.59 1.6734 10 2 1 55.58 3.65 1.6535 4 4 0 55.74 18.07 1.6492 4 1 3 55.84 3.05 1.6464 5 0 3 56.60 9.53 1.6261 10 0 2 56.69 2.02 1.6237 9 3 0 56.86 2.66 1.6193 12 0 1 57.79 33.15 1.5954 1 2 3 58.25 2.52 1.5838 10 1 2 58.37 2.11 1.5810 4 4 1 58.98 31.06 1.5661 11 2 1 59.00 9.14 1.5655 6 3 2 59.47 1.94 1.5542 6 4 0 59.62 6.87 1.5506 6 1 3 60.09 1.03 1.5398 5 4 1 60.48 2.88 1.5308 7 0 3 60.56 1.37 1.5289 13 1 0 61.46 4.66 1.5087 7 3 2 62.15 3.40 1.4936 6 4 1 62.34 9.26 1.4895 5 2 3 63.29 18.45 1.4694 12 2 1 63.57 15.45 1.4636 1 4 2 63.99 6.24 1.4549 14 0 0 64.12 9.04 1.4524 2 4 2 64.23 11.13 1.4502 8 3 2 64.54 1.11 1.4440 7 4 1 64.68 5.41 1.4412 8 4 0 64.89 6.39 1.4370 12 0 2 66.24 4.21 1.4109 2 3 3 66.29 3.91 1.4100 4 4 2 66.36 2.00 1.4087 9 0 3 66.42 1.14 1.4076 12 1 2 66.56 1.65 1.4048 14 0 1 66.70 1.50 1.4022 7 2 3 67.24 2.53 1.3924 8 4 1 67.29 1.60 1.3915 9 3 2 68.38 4.66 1.3719 4 3 3 69.34 7.15 1.3552 13 0 2 69.83 7.98 1.3470 1 0 4 69.83 4.17 1.3470 6 4 2 70.05 1.52 1.3433 14 2 0 70.12 1.20 1.3421 2 5 1 70.35 4.51 1.3382 2 0 4 70.63 2.83 1.3336 10 3 2 70.66 1.63 1.3330 15 1 0 70.99 5.18 1.3277 3 5 1 71.20 1.49 1.3244 10 1 3 71.87 3.40 1.3136 6 3 3 72.20 1.85 1.3084 4 5 1 72.31 8.87 1.3067 9 2 3 72.43 1.87 1.3049 4 0 4 72.72 1.09 1.3004 13 3 0 73.35 1.56 1.2907 11 0 3 73.51 2.65 1.2883 10 4 1 73.75 6.11 1.2848 5 5 1 74.65 1.14 1.2714 8 4 2 75.41 2.45 1.2605 7 5 0 75.46 2.21 1.2598 14 1 2 75.62 1.54 1.2576 6 5 1 75.66 1.57 1.2569 1 2 4 77.01 1.73 1.2382 3 2 4 77.27 2.42 1.2347 6 1 4 77.44 1.66 1.2324 15 2 1 77.53 2.80 1.2313 9 4 2 78.91 1.39 1.2131 15 0 2 79.09 5.10 1.2108 11 2 3 79.43 1.63 1.2065 4 5 2 79.45 1.22 1.2062 7 1 4 79.69 1.36 1.2032 5 2 4 80.06 1.80 1.1985 5 4 3 80.25 2.21 1.1962 16 2 0 80.71 5.27 1.1906 10 4 2 80.78 2.20 1.1897 9 5 0 80.92 1.99 1.1880 12 4 1 81.43 1.21 1.1818 13 0 3 81.95 3.11 1.1757 8 1 4 82.15 2.86 1.1733 15 3 0 82.76 1.63 1.1662 6 5 2 82.83 1.40 1.1654 0 6 0 83.36 1.02 1.1594 9 0 4 83.49 1.57 1.1579 2 6 0 83.86 2.18 1.1537 17 1 1 84.04 1.74 1.1516 7 4 3 84.06 1.52 1.1515 16 0 2 84.54 1.40 1.1461 15 2 2 85.46 2.18 1.1362 16 1 2 85.83 2.57 1.1322 2 6 1 85.88 1.48 1.1316 18 0 0 86.49 2.56 1.1253 10 0 4 86.66 3.61 1.1235 3 6 1 86.75 1.22 1.1225 14 3 2 87.04 8.18 1.1196 13 2 3 87.16 5.69 1.1183 14 4 0 87.37 1.08 1.1161 8 5 2 87.38 1.88 1.1160 11 5 0 87.88 1.37 1.1110 10 1 4 87.97 3.45 1.1101 12 4 2 88.05 1.23 1.1093 17 2 1 88.52 2.90 1.1046 6 3 4 89.31 1.78 1.0969 9 4 3 89.50 1.37 1.0951 14 4 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.