Clinobarylite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of 060606 Krivovichev S V, Yakovenchuk V N, Armbruster T, Mikhailova Y, Pakhomovsky Y A Neues Jahrbuch fur Mineralogie, Monatshefte 2004 (2004) 373-384 Clinobarylite, BaBe2Si2O7: Structure refinement, and revision of symmetry and physical properties Locality: Khibina alkaline massif, Kola Peninsula, Russia CELL PARAMETERS: 11.6390 4.9131 4.6697 90.000 90.000 90.000 SPACE GROUP: Pmn2_1 ATOM X Y Z OCCUPANCY ISO(B) Ba 0.50000 0.20270 0.50790 1.000 1.003 Be 0.75195 0.16710 -0.01470 1.000 0.529 Si 0.62820 0.67564 -0.01410 1.000 0.505 O 0.63911 0.35210 -0.94360 1.000 0.347 O 0.77733 0.13400 -0.35340 1.000 0.568 O 0.50000 0.77410 -0.07670 1.000 1.137 O 0.63300 0.73240 -0.35500 1.000 0.719 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 4 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 28.05535454 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.22 49.88 5.8195 2 0 0 18.06 1.72 4.9131 0 1 0 19.61 25.98 4.5264 1 1 0 20.49 30.12 4.3339 1 0 1 23.70 1.31 3.7541 2 1 0 26.33 83.49 3.3848 0 1 1 27.44 26.44 3.2501 1 1 1 29.33 74.49 3.0448 3 1 0 29.94 85.81 2.9841 3 0 1 30.55 100.00 2.9259 2 1 1 30.73 4.76 2.9097 4 0 0 35.87 20.07 2.5036 4 1 0 36.58 32.91 2.4565 0 2 0 37.41 8.72 2.4036 1 2 0 38.56 33.15 2.3349 0 0 2 39.83 13.42 2.2632 2 2 0 40.90 42.28 2.2065 4 1 1 41.54 7.89 2.1741 0 2 1 41.68 17.99 2.1669 2 0 2 42.29 13.35 2.1371 1 2 1 43.00 15.71 2.1036 5 1 0 43.44 17.59 2.0833 5 0 1 43.61 4.40 2.0755 3 2 0 43.62 17.80 2.0750 1 1 2 44.49 8.21 2.0366 2 2 1 45.76 2.95 1.9827 2 1 2 46.83 7.81 1.9398 6 0 0 47.97 17.04 1.8966 3 2 1 48.50 2.22 1.8771 4 2 0 49.17 21.60 1.8528 3 1 2 50.09 3.07 1.8211 4 0 2 52.55 9.10 1.7416 4 2 1 53.68 6.05 1.7075 4 1 2 54.20 10.53 1.6924 0 2 2 54.52 14.71 1.6830 6 1 1 54.81 6.59 1.6748 1 2 2 56.64 8.70 1.6251 2 2 2 58.05 8.55 1.5889 5 2 1 58.55 2.22 1.5765 2 3 0 58.61 2.57 1.5750 7 1 0 58.97 2.59 1.5664 7 0 1 59.11 13.35 1.5629 5 1 2 59.60 2.69 1.5512 3 2 2 59.85 2.58 1.5454 0 3 1 59.96 1.71 1.5428 1 0 3 60.43 12.81 1.5320 1 3 1 60.85 4.84 1.5224 6 2 0 61.45 2.76 1.5088 3 3 0 62.15 5.58 1.4936 2 3 1 62.21 3.73 1.4924 7 1 1 62.22 5.67 1.4921 6 0 2 62.60 6.99 1.4839 0 1 3 63.17 2.24 1.4720 1 1 3 63.60 3.95 1.4629 4 2 2 64.00 8.55 1.4549 8 0 0 64.36 3.60 1.4474 6 2 1 64.50 8.83 1.4446 3 0 3 64.84 10.56 1.4379 2 1 3 65.39 11.71 1.4272 4 3 0 68.09 2.51 1.3770 7 2 0 68.55 1.08 1.3688 5 2 2 68.78 2.52 1.3649 4 3 1 70.28 1.94 1.3394 5 3 0 70.45 8.15 1.3366 8 1 1 70.73 1.59 1.3320 1 3 2 71.35 1.54 1.3219 4 1 3 71.42 2.34 1.3207 7 2 1 72.32 3.42 1.3065 2 3 2 72.32 1.79 1.3065 1 2 3 72.38 3.28 1.3057 7 1 2 73.14 6.22 1.2939 5 0 3 73.90 3.38 1.2825 2 2 3 74.39 3.84 1.2753 6 2 2 74.94 2.45 1.2672 3 3 2 76.03 4.92 1.2518 8 2 0 76.50 6.23 1.2453 3 2 3 77.27 6.21 1.2348 8 0 2 78.27 2.90 1.2215 1 4 0 78.56 8.85 1.2177 4 3 2 79.26 2.27 1.2087 6 3 1 80.09 1.78 1.1982 4 2 3 81.08 1.68 1.1861 7 2 2 81.44 1.46 1.1817 1 4 1 81.70 5.15 1.1786 6 1 3 82.65 1.31 1.1674 0 0 4 82.96 3.83 1.1639 2 4 1 83.14 1.62 1.1618 5 3 2 84.66 4.10 1.1448 5 2 3 84.68 1.80 1.1446 2 0 4 85.85 5.83 1.1320 7 3 1 86.00 3.20 1.1304 1 1 4 86.20 1.60 1.1283 0 3 3 86.71 4.61 1.1230 1 3 3 87.83 1.28 1.1115 9 2 1 88.66 4.29 1.1032 8 2 2 88.69 1.10 1.1030 6 3 2 88.74 1.54 1.1024 9 1 2 88.92 4.41 1.1006 10 1 1 89.01 4.42 1.0998 4 4 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.