Osumilite-(Mg) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R141102 Chukanov N V, Pekov I V, Rastsvetaeva R K, Aksenov S M, Belakovskiy D I, Van K V, Schuller V, Ternes B Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva 141 (2012) 27-36 Osumilite-(Mg): Validation as a mineral species and new data Locality: Bellerberg, Eifel volcanic area, Germany _database_code_amcsd 0020038 CELL PARAMETERS: 10.0760 10.0760 14.3310 90.000 90.000 120.000 SPACE GROUP: P6/mcc ATOM X Y Z OCCUPANCY ISO(B) K 0.00000 0.00000 0.25000 0.720 2.499 Na 0.00000 0.00000 0.25000 0.030 2.499 Ca 0.00000 0.00000 0.25000 0.010 2.499 Mg 0.33333 0.66667 0.25000 0.980 0.442 Mn 0.33333 0.66667 0.25000 0.020 0.442 Al 0.50000 0.00000 0.25000 0.850 1.098 Fe 0.50000 0.00000 0.25000 0.150 1.098 Si 0.10590 0.35330 0.10770 0.860 0.680 Al 0.10590 0.35330 0.10770 0.140 0.680 O 0.12260 0.40730 0.00000 1.000 1.534 O 0.21730 0.28500 0.13090 1.000 1.866 O 0.14070 0.49360 0.17880 1.000 1.122 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 13 MAX. ABS. INTENSITY / VOLUME**2: 9.755235453 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.14 3.47 8.7261 1 0 0 12.35 34.13 7.1655 0 0 2 16.00 18.91 5.5377 1 0 2 17.60 63.43 5.0380 1 1 0 20.35 9.91 4.3630 2 0 0 21.56 30.01 4.1213 1 1 2 23.88 48.39 3.7266 2 0 2 24.85 23.18 3.5828 0 0 4 26.90 15.87 3.3143 1 0 4 27.04 4.33 3.2981 2 1 0 27.76 100.00 3.2141 2 1 1 29.82 10.46 2.9960 2 1 2 30.62 41.53 2.9197 1 1 4 30.74 2.07 2.9087 3 0 0 32.33 54.36 2.7688 2 0 4 33.00 9.60 2.7141 2 1 3 35.64 14.51 2.5190 2 2 0 37.15 6.29 2.4202 3 1 0 37.69 4.04 2.3864 3 1 1 37.86 6.07 2.3764 2 2 2 41.84 8.25 2.1589 3 1 3 43.36 4.81 2.0869 4 0 2 43.94 1.23 2.0606 2 2 4 45.21 12.36 2.0055 3 1 4 45.30 4.19 2.0019 3 2 0 47.76 3.35 1.9042 4 1 0 48.21 11.20 1.8876 4 1 1 48.88 1.66 1.8633 4 0 4 49.28 17.96 1.8491 3 1 5 49.37 3.44 1.8459 3 0 6 49.53 2.20 1.8403 4 1 2 50.98 7.69 1.7914 0 0 8 52.43 5.29 1.7452 5 0 0 52.82 17.41 1.7332 2 2 6 54.35 2.18 1.6879 1 1 8 54.58 2.34 1.6815 4 1 4 54.65 3.95 1.6793 3 3 0 55.45 1.03 1.6571 2 0 8 55.74 4.44 1.6491 4 2 0 57.19 1.11 1.6108 4 0 6 58.16 3.34 1.5861 4 1 5 59.32 3.90 1.5580 5 1 1 60.33 1.76 1.5343 3 2 6 60.47 2.07 1.5311 5 1 2 60.72 2.34 1.5253 3 0 8 60.93 5.14 1.5206 3 3 4 61.95 1.23 1.4980 4 2 4 62.35 2.04 1.4892 5 1 3 63.75 9.49 1.4599 2 2 8 64.95 1.68 1.4359 5 1 4 65.04 2.49 1.4340 2 1 9 65.28 3.06 1.4294 4 2 5 65.49 7.22 1.4253 6 0 2 66.97 7.74 1.3973 5 2 0 67.13 1.59 1.3943 4 1 7 67.33 4.98 1.3907 5 2 1 68.01 2.06 1.3784 1 1 10 68.20 2.31 1.3751 5 1 5 68.97 2.32 1.3615 2 0 10 69.23 2.34 1.3571 4 2 6 69.79 5.18 1.3476 6 0 4 70.18 2.05 1.3411 5 2 3 70.55 1.85 1.3349 3 2 8 70.84 8.05 1.3302 3 1 9 71.82 2.35 1.3144 2 1 10 72.63 5.08 1.3018 5 2 4 73.88 3.00 1.2828 4 3 5 76.40 1.11 1.2466 7 0 0 76.85 1.22 1.2405 4 4 2 78.26 2.86 1.2215 4 1 9 78.90 2.90 1.2133 4 2 8 79.02 3.56 1.2117 2 1 11 79.45 1.94 1.2062 5 3 3 79.46 2.90 1.2061 5 2 6 80.13 1.91 1.1978 4 0 10 80.50 1.90 1.1932 6 2 2 80.90 4.85 1.1882 4 4 4 81.81 1.34 1.1774 7 0 4 84.81 1.44 1.1431 5 3 5 87.02 1.08 1.1198 4 3 8 87.29 1.15 1.1170 5 1 9 88.81 3.16 1.1018 5 2 8 89.95 2.33 1.0908 8 0 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.