Ericssonite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130001 Matsubara S Mineralogical Journal 10 (1980) 107-121 The crystal structure of orthoericssonite Note: this is the orthorhombic polytype Locality: Hijikuzu mine, Iwate Prefecture, Japan _database_code_amcsd 0014422 CELL PARAMETERS: 20.6010 7.0269 5.4260 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: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 18 +/- 6 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 16.77431080 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.31 4.67 6.6507 1 1 0 17.22 21.60 5.1502 4 0 0 18.48 1.12 4.8007 2 0 1 20.87 1.59 4.2574 3 0 1 21.13 16.45 4.2043 1 1 1 22.43 21.35 3.9639 2 1 1 23.82 11.56 3.7355 4 0 1 24.45 100.00 3.6412 3 1 1 25.05 20.36 3.5543 5 1 0 25.35 11.55 3.5134 0 2 0 25.95 39.55 3.4335 6 0 0 26.81 24.03 3.3253 2 2 0 27.03 37.02 3.2984 4 1 1 27.18 6.18 3.2814 5 0 1 30.06 79.56 2.9732 5 1 1 30.62 6.04 2.9194 1 2 1 30.81 22.59 2.9024 4 2 0 30.82 17.77 2.9014 6 0 1 31.56 82.90 2.8352 2 2 1 33.00 36.86 2.7145 7 1 0 33.06 85.89 2.7098 3 2 1 33.31 39.92 2.6898 1 0 2 33.41 13.47 2.6818 6 1 1 34.18 26.84 2.6235 2 0 2 34.68 4.08 2.5870 7 0 1 34.84 10.84 2.5751 8 0 0 35.06 2.34 2.5593 4 2 1 36.56 1.02 2.4578 2 1 2 36.59 7.68 2.4556 6 2 0 37.03 6.14 2.4277 7 1 1 37.47 12.30 2.4003 4 0 2 37.50 19.06 2.3981 5 2 1 38.70 8.35 2.3264 8 0 1 39.68 8.84 2.2715 4 1 2 39.78 3.53 2.2659 5 0 2 40.31 4.83 2.2372 6 2 1 40.70 1.51 2.2169 3 3 0 41.49 14.94 2.1764 9 1 0 41.89 5.07 2.1565 5 1 2 42.01 1.72 2.1505 0 3 1 42.08 6.31 2.1473 0 2 2 42.25 6.62 2.1389 1 3 1 42.32 34.53 2.1358 1 2 2 42.47 17.45 2.1287 6 0 2 42.88 2.42 2.1090 9 0 1 42.96 2.08 2.1051 2 3 1 43.03 6.90 2.1021 2 2 2 43.44 27.25 2.0832 7 2 1 43.58 2.46 2.0770 8 2 0 43.95 1.26 2.0601 10 0 0 44.13 13.96 2.0522 3 3 1 44.19 13.50 2.0495 3 2 2 44.47 17.97 2.0373 6 1 2 44.49 15.84 2.0363 5 3 0 44.87 2.65 2.0200 9 1 1 45.47 2.64 1.9947 7 0 2 45.72 7.24 1.9844 4 3 1 45.78 1.31 1.9820 4 2 2 47.19 5.43 1.9260 10 0 1 47.37 4.18 1.9189 7 1 2 47.70 13.63 1.9064 5 3 1 48.76 1.76 1.8677 8 0 2 49.04 1.06 1.8575 10 1 1 49.75 10.00 1.8327 7 3 0 50.05 1.87 1.8225 6 3 1 50.43 3.78 1.8096 11 1 0 50.47 4.94 1.8083 9 2 1 50.57 10.15 1.8051 8 1 2 51.63 1.45 1.7703 11 0 1 51.75 1.12 1.7664 1 3 2 52.06 32.75 1.7567 0 4 0 52.29 7.25 1.7495 9 0 2 52.36 3.23 1.7473 2 3 2 52.72 2.56 1.7363 7 3 1 53.03 5.95 1.7268 2 1 3 53.37 1.95 1.7167 11 1 1 54.01 1.91 1.6977 9 1 2 54.32 15.83 1.6889 10 2 1 55.25 3.66 1.6627 4 4 0 55.41 18.13 1.6583 4 1 3 55.48 3.06 1.6561 5 0 3 56.05 9.71 1.6407 10 0 2 56.19 2.03 1.6371 9 3 0 56.20 2.72 1.6368 12 0 1 57.48 33.22 1.6032 1 2 3 57.70 2.55 1.5977 10 1 2 58.02 2.12 1.5897 4 4 1 58.37 31.67 1.5810 11 2 1 58.60 9.19 1.5753 6 3 2 59.07 1.96 1.5639 6 4 0 59.22 6.92 1.5603 6 1 3 59.71 1.04 1.5487 5 4 1 59.83 1.41 1.5459 13 1 0 60.04 2.90 1.5409 7 0 3 61.01 4.70 1.5187 7 3 2 61.73 3.41 1.5027 6 4 1 61.94 9.30 1.4980 5 2 3 62.61 18.83 1.4837 12 2 1 63.19 6.39 1.4715 14 0 0 63.22 15.48 1.4708 1 4 2 63.73 11.24 1.4603 8 3 2 63.76 9.06 1.4597 2 4 2 64.07 1.12 1.4533 7 4 1 64.18 5.45 1.4512 8 4 0 64.20 6.53 1.4507 12 0 2 65.72 1.16 1.4207 12 1 2 65.75 1.69 1.4202 14 0 1 65.81 2.02 1.4191 9 0 3 65.87 4.21 1.4179 2 3 3 65.89 3.93 1.4176 4 4 2 66.23 1.51 1.4112 7 2 3 66.72 2.54 1.4019 8 4 1 66.73 1.62 1.4017 9 3 2 67.96 4.68 1.3793 4 3 3 68.58 7.32 1.3684 13 0 2 69.22 1.56 1.3573 14 2 0 69.36 4.20 1.3549 6 4 2 69.44 8.00 1.3536 1 0 4 69.72 1.20 1.3488 2 5 1 69.77 1.67 1.3479 15 1 0 69.95 4.52 1.3449 2 0 4 70.01 2.87 1.3438 10 3 2 70.57 5.19 1.3345 3 5 1 70.58 1.51 1.3344 10 1 3 71.39 3.42 1.3213 6 3 3 71.73 8.95 1.3158 9 2 3 71.76 1.85 1.3154 4 5 1 71.94 1.11 1.3125 13 3 0 71.99 1.88 1.3118 4 0 4 72.68 1.58 1.3010 11 0 3 72.88 2.69 1.2979 10 4 1 73.27 6.13 1.2919 5 5 1 74.09 1.16 1.2796 8 4 2 74.60 2.26 1.2721 14 1 2 74.87 2.47 1.2682 7 5 0 75.11 1.55 1.2648 6 5 1 75.23 1.57 1.2631 1 2 4 75.33 1.00 1.2616 6 0 4 76.52 1.69 1.2450 15 2 1 76.55 1.73 1.2445 3 2 4 76.75 2.42 1.2418 6 1 4 76.91 2.82 1.2396 9 4 2 77.97 1.41 1.2253 15 0 2 78.38 5.15 1.2200 11 2 3 78.89 1.22 1.2134 7 1 4 78.94 1.64 1.2128 4 5 2 79.18 1.36 1.2097 5 2 4 79.24 2.26 1.2089 16 2 0 79.54 1.81 1.2051 5 4 3 80.02 5.33 1.1991 10 4 2 80.13 2.21 1.1977 9 5 0 80.14 2.01 1.1975 12 4 1 80.60 1.23 1.1919 13 0 3 81.19 2.92 1.1848 15 3 0 81.33 3.13 1.1830 8 1 4 82.19 1.64 1.1728 6 5 2 82.33 1.40 1.1711 0 6 0 82.69 1.02 1.1670 9 0 4 82.75 2.22 1.1663 17 1 1 82.98 1.57 1.1637 2 6 0 83.02 1.55 1.1632 16 0 2 83.44 1.74 1.1584 7 4 3 83.57 1.41 1.1570 15 2 2 84.41 2.22 1.1476 16 1 2 84.69 1.52 1.1445 18 0 0 85.31 2.57 1.1378 2 6 1 85.76 2.57 1.1329 10 0 4 85.82 1.23 1.1323 14 3 2 86.11 3.60 1.1292 3 6 1 86.16 8.25 1.1287 13 2 3 86.22 5.75 1.1280 14 4 0 86.60 1.89 1.1241 11 5 0 86.71 1.08 1.1230 8 5 2 86.91 1.25 1.1209 17 2 1 87.13 3.48 1.1186 12 4 2 87.14 1.38 1.1185 10 1 4 87.90 2.90 1.1107 6 3 4 88.54 1.38 1.1044 14 4 1 88.59 1.79 1.1039 9 4 3 89.99 1.41 1.0903 7 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.