Krauskopfite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070657 Coda A, dal Negro A, Rossi G Atti della Accademia Nazionale dei Lincei 42 (1967) 859-873 The crystal structure of krauskopfite Locality: Rush Creek locality, Fresno County, California CELL PARAMETERS: 7.8260 10.6070 8.4520 90.000 94.590 90.000 SPACE GROUP: P2_1/c ATOM X Y Z OCCUPANCY ISO(B) Ba 0.20617 0.14932 0.12217 1.000 1.273 Si 0.49067 0.38317 0.27346 1.000 0.986 Si 0.70113 0.24619 0.53086 1.000 1.016 O 0.53510 0.28850 0.12730 1.000 1.598 O 0.52050 0.52750 0.21820 1.000 1.821 O 0.30710 0.34940 0.31900 1.000 1.564 O 0.64070 0.36760 0.41750 1.000 1.519 O 0.76590 0.12990 0.43250 1.000 1.829 O 0.85660 0.29260 0.65940 1.000 1.461 O 0.12530 0.11830 0.45870 1.000 2.169 O 0.99300 0.43350 0.32920 1.000 2.090 H 0.11820 0.40010 0.32480 1.000 2.500 H 0.94420 0.35330 0.26820 1.000 2.500 H 0.99150 0.12200 0.44940 1.000 2.500 H 0.16530 0.02750 0.49840 1.000 2.500 H 0.81970 0.17610 0.26950 1.000 2.500 H 0.59010 0.06630 0.34030 1.000 2.500 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 9 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 16.70434743 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.34 1.30 7.8009 1 0 0 13.42 43.48 6.5971 0 1 1 14.09 43.12 6.2843 1 1 0 16.72 30.54 5.3035 0 2 0 17.05 25.83 5.2006 -1 1 1 18.15 9.81 4.8885 1 1 1 19.78 11.22 4.4883 0 2 1 22.43 3.42 3.9640 -1 2 1 22.71 47.33 3.9150 0 1 2 22.80 21.52 3.9005 2 0 0 23.18 47.32 3.8372 -1 0 2 23.28 100.00 3.8205 1 2 1 24.31 22.56 3.6608 2 1 0 24.67 12.91 3.6083 -1 1 2 24.81 10.26 3.5884 1 0 2 27.03 5.51 3.2986 0 2 2 27.28 12.78 3.2690 2 1 1 27.36 24.04 3.2602 0 3 1 27.70 19.38 3.2203 1 3 0 28.40 19.97 3.1422 2 2 0 29.36 13.30 3.0418 -1 3 1 29.70 54.27 3.0083 -2 2 1 30.03 6.33 2.9755 1 3 1 30.07 3.37 2.9720 1 2 2 31.01 12.64 2.8838 2 2 1 31.14 38.40 2.8720 -2 1 2 32.51 19.09 2.7542 2 0 2 32.99 16.22 2.7148 0 1 3 33.08 3.86 2.7082 0 3 2 33.62 2.12 2.6658 2 1 2 33.80 18.49 2.6518 0 4 0 34.23 1.12 2.6196 2 3 0 34.49 11.66 2.6003 3 0 0 34.49 1.04 2.6003 -2 2 2 35.33 2.11 2.5405 -2 3 1 35.49 4.49 2.5294 0 4 1 35.55 5.75 2.5255 3 1 0 35.65 1.74 2.5185 1 3 2 35.76 1.23 2.5107 1 4 0 35.85 15.65 2.5045 1 1 3 36.19 23.47 2.4818 0 2 3 36.33 1.50 2.4726 -3 1 1 36.46 19.81 2.4642 2 3 1 37.23 20.59 2.4149 -1 2 3 37.65 15.91 2.3893 1 4 1 38.85 4.65 2.3181 1 2 3 38.93 5.23 2.3137 -2 1 3 39.23 2.19 2.2963 -3 0 2 39.52 2.64 2.2802 -2 3 2 40.18 18.40 2.2444 -3 1 2 40.84 29.17 2.2095 3 2 1 41.04 15.02 2.1990 0 3 3 41.16 6.63 2.1929 2 4 0 41.39 25.23 2.1815 -1 4 2 41.56 1.94 2.1728 2 3 2 41.73 1.47 2.1644 -2 2 3 41.98 6.37 2.1521 -1 3 3 42.11 3.40 2.1459 -2 4 1 42.28 9.66 2.1375 3 0 2 42.38 8.17 2.1326 1 4 2 42.94 5.19 2.1062 0 0 4 43.17 4.86 2.0954 3 1 2 43.45 11.39 2.0827 1 3 3 43.86 8.40 2.0643 -3 3 1 44.25 18.58 2.0471 1 5 0 44.48 5.02 2.0370 -1 1 4 44.64 8.65 2.0299 2 2 3 45.50 2.93 1.9937 1 0 4 45.77 1.50 1.9826 3 2 2 45.84 1.01 1.9797 1 5 1 46.10 8.73 1.9691 -2 3 3 46.34 10.59 1.9593 1 1 4 46.39 1.71 1.9575 0 2 4 46.57 3.72 1.9502 4 0 0 47.14 1.50 1.9280 0 4 3 47.38 3.60 1.9186 -2 0 4 47.40 6.13 1.9181 4 1 0 47.60 1.27 1.9103 2 4 2 47.98 2.61 1.8961 -1 4 3 48.02 4.69 1.8947 0 5 2 48.20 1.05 1.8879 -2 1 4 48.80 1.65 1.8662 2 3 3 48.87 2.10 1.8636 2 5 0 48.91 13.87 1.8623 -3 2 3 49.07 5.03 1.8566 3 4 0 49.07 1.18 1.8566 -1 5 2 49.56 2.93 1.8391 4 1 1 49.94 6.24 1.8264 -4 0 2 49.94 2.59 1.8262 1 5 2 50.20 4.36 1.8172 -4 2 1 50.44 1.33 1.8092 3 1 3 50.72 2.88 1.7999 -4 1 2 50.89 3.83 1.7942 2 0 4 50.97 2.78 1.7917 3 4 1 51.71 1.40 1.7678 0 6 0 51.72 1.18 1.7674 -2 4 3 51.91 2.99 1.7614 4 2 1 52.73 4.01 1.7359 -3 4 2 52.76 1.31 1.7351 3 2 3 52.96 2.86 1.7289 -2 5 2 53.32 1.22 1.7181 4 0 2 53.77 1.16 1.7048 -3 0 4 54.04 1.10 1.6969 -4 3 1 54.21 1.48 1.6919 2 4 3 54.41 2.83 1.6863 -2 3 4 54.51 4.41 1.6833 1 6 1 54.52 2.64 1.6832 -3 1 4 54.61 2.39 1.6807 2 5 2 55.19 1.26 1.6642 3 4 2 55.66 3.60 1.6513 4 3 1 55.73 3.86 1.6493 0 4 4 55.88 1.94 1.6454 -4 1 3 55.94 3.47 1.6438 3 5 0 56.28 1.69 1.6345 4 2 2 56.47 4.30 1.6295 3 3 3 56.72 2.47 1.6230 -3 2 4 57.21 2.76 1.6102 2 6 0 57.38 1.65 1.6059 0 2 5 57.39 4.60 1.6056 -1 6 2 57.72 2.75 1.5971 -1 2 5 57.87 2.13 1.5935 1 4 4 57.96 3.80 1.5913 -2 6 1 57.96 1.74 1.5911 -3 4 3 58.17 2.92 1.5858 1 6 2 58.56 1.14 1.5761 3 0 4 59.12 1.33 1.5627 -4 4 1 59.27 4.52 1.5590 3 1 4 59.30 2.60 1.5582 -3 5 2 59.47 2.73 1.5544 -2 4 4 59.66 1.63 1.5497 1 2 5 60.08 1.44 1.5401 -5 1 1 60.67 4.08 1.5265 -2 2 5 60.90 1.12 1.5211 0 3 5 60.91 1.77 1.5209 -2 6 2 61.24 3.40 1.5136 -1 3 5 61.36 1.03 1.5108 3 2 4 61.55 3.55 1.5067 -4 3 3 61.59 3.09 1.5057 3 5 2 61.67 4.81 1.5041 -4 4 2 62.03 3.11 1.4961 0 6 3 62.25 2.11 1.4914 0 7 1 62.37 1.56 1.4887 2 1 5 62.41 2.77 1.4879 -5 1 2 62.43 1.06 1.4875 1 7 0 62.50 7.11 1.4860 2 4 4 62.61 2.44 1.4836 -1 5 4 62.63 4.99 1.4833 4 2 3 63.32 1.18 1.4687 -1 7 1 63.65 1.92 1.4620 3 6 0 63.69 1.80 1.4610 1 7 1 63.85 1.64 1.4579 1 6 3 64.00 1.72 1.4548 -3 1 5 64.01 6.02 1.4546 5 2 1 64.10 2.62 1.4528 1 5 4 64.95 1.36 1.4357 4 5 0 65.26 1.02 1.4296 3 6 1 65.52 1.87 1.4246 -5 3 1 65.61 1.44 1.4230 -2 5 4 66.10 1.19 1.4136 5 1 2 66.74 1.37 1.4016 -1 0 6 66.78 1.86 1.4008 -3 6 2 67.26 3.14 1.3920 0 1 6 67.56 3.32 1.3865 2 7 1 67.72 2.94 1.3837 2 3 5 67.77 1.41 1.3827 1 4 5 68.49 1.08 1.3699 2 5 4 68.71 1.02 1.3661 -2 4 5 68.74 1.66 1.3656 4 1 4 68.77 1.10 1.3651 -5 2 3 68.89 3.11 1.3631 1 0 6 69.27 1.79 1.3563 -3 3 5 69.41 2.68 1.3541 0 6 4 69.96 2.02 1.3447 5 4 0 70.63 1.21 1.3335 0 7 3 70.92 1.67 1.3289 -3 5 4 71.10 1.04 1.3259 0 8 0 71.29 1.44 1.3229 -1 7 3 71.34 3.10 1.3220 3 2 5 71.38 2.33 1.3213 -3 6 3 71.85 1.28 1.3139 5 4 1 72.12 1.42 1.3098 0 8 1 72.34 1.09 1.3063 1 7 3 72.42 1.37 1.3050 0 3 6 72.44 2.24 1.3046 -5 0 4 72.63 1.46 1.3017 -3 7 1 72.74 1.26 1.3001 -2 6 4 73.11 1.23 1.2943 -1 8 1 73.37 1.88 1.2905 6 1 0 73.47 2.61 1.2889 -4 2 5 74.13 1.24 1.2791 -3 0 6 74.29 1.91 1.2768 -2 7 3 74.66 1.54 1.2713 -6 0 2 74.73 1.02 1.2702 -4 6 2 74.76 2.09 1.2699 -3 1 6 75.22 1.90 1.2633 -6 2 1 75.50 1.87 1.2593 2 6 4 76.42 1.16 1.2463 -2 8 1 77.91 2.73 1.2263 -5 5 2 78.32 1.85 1.2207 -6 3 1 78.36 2.25 1.2203 -4 5 4 78.75 2.94 1.2152 6 0 2 78.98 1.13 1.2123 1 4 6 79.29 1.80 1.2083 5 0 4 80.66 1.75 1.1912 -1 8 3 80.87 1.66 1.1886 3 1 6 81.28 2.40 1.1837 5 5 2 81.87 1.44 1.1767 4 7 1 82.07 1.16 1.1742 -1 2 7 82.36 2.82 1.1709 0 5 6 82.45 1.45 1.1698 5 6 0 82.54 1.38 1.1687 3 7 3 82.96 2.19 1.1639 3 8 1 83.01 1.26 1.1633 4 6 3 83.74 1.68 1.1551 4 5 4 84.25 1.23 1.1493 5 6 1 84.86 2.38 1.1426 -2 5 6 84.96 1.39 1.1415 -6 1 4 85.55 1.72 1.1352 2 8 3 85.97 2.38 1.1307 -5 3 5 86.64 1.07 1.1237 -1 7 5 86.91 1.16 1.1208 -4 7 3 87.32 1.62 1.1167 -2 3 7 87.45 2.18 1.1154 1 3 7 88.51 1.56 1.1047 6 4 2 88.66 1.10 1.1032 -3 8 3 88.85 1.05 1.1014 2 5 6 88.94 1.28 1.1005 2 2 7 89.04 1.12 1.0995 5 4 4 89.39 1.14 1.0961 -2 9 2 89.65 1.70 1.0936 -4 8 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.