Edingtonite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040110 Stahl K, Hanson J C European Journal of Mineralogy 10 (1998) 221-228 An in situ study of the edingtonite dehydration process from X-ray synchrotron powder diffraction Sample: 310 K CELL PARAMETERS: 9.5290 9.6449 6.5103 90.000 90.000 90.000 SPACE GROUP: P2_12_12 ATOM X Y Z OCCUPANCY ISO(B) Ba 0.50000 0.00000 0.63220 0.900 2.400 Ca 0.50000 0.00000 0.63220 0.100 2.400 Al 0.08870 0.16800 0.62410 1.000 1.600 Si 0.00000 0.00000 0.00520 1.000 1.600 Si -0.17550 0.09520 0.38650 1.000 1.600 O 0.17510 0.32290 0.62330 1.000 1.100 O -0.05650 0.20000 0.46670 1.000 1.100 O 0.18550 0.03600 0.53220 1.000 1.100 O 0.03590 0.13460 0.87370 1.000 1.100 O -0.13480 0.03990 0.15690 1.000 1.100 Wa 0.16820 0.32650 0.13780 0.730 3.000 Wa 0.38620 0.12580 -0.01900 0.810 3.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 8.773994596 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.60 100.00 6.5103 0 0 1 16.43 36.95 5.3961 0 1 1 16.49 44.24 5.3755 1 0 1 18.40 50.31 4.8225 0 2 0 18.62 51.62 4.7645 2 0 0 18.90 75.25 4.6955 1 1 1 20.64 9.96 4.3028 1 2 0 20.79 3.41 4.2717 2 1 0 22.95 3.57 3.8751 0 2 1 24.80 91.27 3.5896 1 2 1 24.93 88.87 3.5715 2 1 1 26.29 20.61 3.3893 2 2 0 27.40 12.36 3.2552 0 0 2 28.95 11.47 3.0842 0 1 2 28.99 11.01 3.0804 1 0 2 29.32 23.75 3.0463 1 3 0 29.61 29.22 3.0169 3 1 0 29.72 23.95 3.0063 2 2 1 30.46 34.11 2.9344 1 1 2 32.45 80.94 2.7591 1 3 1 32.72 89.05 2.7373 3 1 1 33.63 4.99 2.6650 2 3 0 33.79 7.12 2.6526 3 2 0 34.55 37.98 2.5960 1 2 2 34.65 44.38 2.5891 2 1 2 36.43 5.19 2.4664 2 3 1 36.58 6.57 2.4565 3 2 1 38.34 2.04 2.3477 2 2 2 39.39 33.35 2.2874 0 3 2 39.65 28.54 2.2734 3 0 2 39.87 4.28 2.2611 0 4 1 39.90 34.62 2.2595 3 3 0 40.31 2.08 2.2372 4 0 1 40.56 2.05 2.2242 1 3 2 40.78 1.73 2.2127 3 1 2 41.03 17.57 2.2000 1 4 1 41.43 15.52 2.1793 4 1 1 41.62 3.55 2.1701 0 0 3 42.00 9.50 2.1514 2 4 0 42.32 10.39 2.1359 4 2 0 42.34 10.13 2.1346 3 3 1 42.71 3.01 2.1172 0 1 3 42.73 2.03 2.1159 1 0 3 43.80 16.05 2.0668 1 1 3 43.91 5.94 2.0621 2 3 2 44.04 6.42 2.0563 3 2 2 44.34 6.36 2.0428 2 4 1 44.65 4.47 2.0294 4 2 1 45.85 3.26 1.9790 0 2 3 45.95 4.81 1.9749 2 0 3 46.89 6.06 1.9376 1 2 3 46.96 8.00 1.9348 2 1 3 47.50 1.98 1.9140 4 3 0 47.91 6.98 1.8987 1 4 2 48.13 1.58 1.8906 1 5 0 48.27 6.60 1.8853 4 1 2 48.70 1.10 1.8696 5 1 0 49.08 1.41 1.8562 3 3 2 49.27 4.51 1.8495 0 5 1 49.48 10.42 1.8421 3 4 1 49.65 10.05 1.8363 4 3 1 49.86 4.20 1.8290 5 0 1 49.90 16.61 1.8276 2 2 3 50.25 4.72 1.8156 1 5 1 50.81 5.58 1.7970 5 1 1 51.08 1.89 1.7880 2 5 0 51.56 2.46 1.7724 5 2 0 51.72 4.65 1.7675 1 3 3 51.90 3.22 1.7617 3 1 3 53.12 1.87 1.7242 2 5 1 53.59 2.27 1.7102 5 2 1 54.12 7.31 1.6947 4 4 0 54.53 1.47 1.6828 2 3 3 54.64 3.82 1.6796 3 2 3 55.36 7.25 1.6595 0 5 2 55.56 7.39 1.6541 3 4 2 55.71 5.90 1.6499 4 3 2 55.91 7.49 1.6447 5 0 2 56.08 3.78 1.6400 4 4 1 56.27 3.69 1.6349 1 5 2 56.54 5.48 1.6276 0 0 4 56.78 4.03 1.6213 5 1 2 57.32 5.00 1.6075 0 6 0 57.44 1.17 1.6043 4 0 3 57.99 3.47 1.5904 1 4 3 58.08 4.02 1.5882 6 0 0 58.30 2.24 1.5826 1 1 4 58.31 2.80 1.5825 4 1 3 58.93 5.62 1.5671 2 5 2 59.37 5.53 1.5566 5 2 2 60.07 1.74 1.5401 1 6 1 60.61 6.59 1.5278 2 4 3 60.80 1.68 1.5235 6 1 1 60.81 5.06 1.5231 2 6 0 60.85 2.32 1.5223 1 2 4 60.85 7.47 1.5222 4 2 3 60.91 2.58 1.5209 2 1 4 61.47 5.90 1.5085 6 2 0 61.71 5.80 1.5032 4 4 2 62.64 1.90 1.4831 2 6 1 63.28 3.09 1.4695 6 2 1 63.40 3.17 1.4672 2 2 4 63.70 1.33 1.4609 4 5 1 64.65 1.26 1.4417 0 5 3 64.83 4.50 1.4382 3 4 3 64.96 8.53 1.4355 1 3 4 64.97 1.91 1.4355 4 3 3 65.12 6.19 1.4324 3 1 4 65.14 1.17 1.4320 5 0 3 65.48 1.03 1.4255 1 5 3 66.79 3.00 1.4007 3 6 1 67.31 3.20 1.3910 6 3 1 67.52 1.05 1.3873 3 2 4 68.97 1.55 1.3617 4 5 2 69.31 3.62 1.3557 5 5 0 69.77 2.07 1.3480 0 7 1 70.51 7.61 1.3356 4 4 3 70.56 2.57 1.3347 1 7 1 70.70 1.06 1.3325 4 6 0 70.70 1.74 1.3325 7 0 1 71.02 3.55 1.3273 5 5 1 71.08 1.45 1.3263 6 4 0 71.24 1.24 1.3236 2 7 0 71.43 4.80 1.3206 3 3 4 71.47 3.07 1.3199 7 1 1 71.94 8.60 1.3125 3 6 2 72.09 1.07 1.3101 7 2 0 72.45 9.09 1.3046 6 3 2 72.61 1.18 1.3021 0 0 5 72.87 1.16 1.2980 2 4 4 72.93 2.30 1.2971 2 7 1 73.10 1.23 1.2946 4 2 4 73.77 1.85 1.2843 7 2 1 74.83 1.29 1.2689 0 7 2 76.39 2.68 1.2467 2 6 3 76.43 3.12 1.2462 1 2 5 76.48 3.02 1.2455 2 1 5 76.82 2.13 1.2409 3 7 1 76.98 1.92 1.2386 6 2 3 77.36 4.83 1.2335 1 5 4 77.55 1.10 1.2309 7 3 1 77.80 3.66 1.2276 5 1 4 77.92 1.26 1.2261 2 7 2 78.73 1.47 1.2155 2 2 5 78.74 1.02 1.2154 7 2 2 79.36 1.15 1.2074 5 6 1 79.56 1.16 1.2049 6 5 1 79.66 2.08 1.2036 2 5 4 80.04 2.16 1.1988 5 2 4 80.22 1.81 1.1965 3 6 3 80.71 1.74 1.1905 6 3 3 81.89 1.49 1.1764 1 8 1 82.44 1.03 1.1699 2 3 5 82.54 1.24 1.1688 2 8 0 83.03 1.16 1.1631 8 1 1 83.62 1.30 1.1564 8 2 0 84.21 1.30 1.1498 5 5 3 84.43 1.29 1.1474 6 5 2 85.33 1.77 1.1375 1 4 5 85.60 1.74 1.1346 4 1 5 85.88 1.15 1.1317 6 4 3 86.04 1.21 1.1300 2 7 3 86.73 2.58 1.1227 1 8 2 86.84 1.23 1.1216 7 2 3 87.59 1.15 1.1139 2 4 5 87.77 1.16 1.1121 2 6 4 87.86 2.39 1.1111 8 1 2 88.93 1.84 1.1005 5 7 1 89.36 1.81 1.0963 7 5 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.