Bartelkeite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070114 Origlieri M J, Yang H, Downs R T, Posner E S, Domanik K J, Pinch W W American Mineralogist 97 (2012) 1812-1815 The crystal structure of bartelkeite, with a revised chemical formula, PbFeGeVI(GeIV2O7)(OH)2*H2O, isotypic with high-pressure P21/m lawsonite Locality: Tsumeb, Namibia _database_code_amcsd 0019471 CELL PARAMETERS: 5.4033 13.6150 5.8279 90.000 111.760 90.000 SPACE GROUP: P2_1/m ATOM X Y Z OCCUPANCY ISO(B) Pb 0.32486 0.75000 0.67674 1.000 1.175 Fe 0.50000 0.00000 0.00000 1.000 0.607 Ge 0.50000 0.00000 0.50000 1.000 0.610 Ge 0.96137 0.12998 0.99604 1.000 0.543 O 0.90129 0.75000 0.93503 1.000 1.242 O 0.75120 0.11152 0.65453 1.000 1.014 O 0.78204 0.38528 0.13370 1.000 0.903 O 0.28375 0.06250 0.16104 1.000 0.698 O 0.28929 0.05245 0.60363 1.000 0.913 O 0.76173 0.75000 0.32159 1.000 1.893 H 0.14279 0.07756 0.49540 1.000 2.369 H 0.71283 0.79771 0.35539 1.000 2.369 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 12 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 39.13474352 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.00 5.19 6.8075 0 2 0 16.38 3.86 5.4126 0 0 1 17.63 87.58 5.0297 0 1 1 17.67 7.82 5.0183 1 0 0 18.85 100.00 4.7086 1 1 0 19.15 4.90 4.6351 -1 0 1 20.24 33.79 4.3878 -1 1 1 20.97 4.27 4.2367 0 2 1 22.00 12.17 4.0394 1 2 0 23.22 29.57 3.8313 -1 2 1 25.62 34.51 3.4776 0 3 1 26.18 15.77 3.4037 0 4 0 26.48 19.75 3.3660 1 3 0 27.51 38.50 3.2428 -1 3 1 28.38 71.54 3.1444 1 0 1 31.04 51.00 2.8814 0 4 1 31.20 22.20 2.8671 -1 0 2 31.34 37.36 2.8546 1 2 1 31.77 97.48 2.8169 1 4 0 32.64 45.23 2.7435 -1 4 1 33.10 6.94 2.7063 0 0 2 33.33 34.69 2.6882 -2 0 1 33.77 3.35 2.6544 0 1 2 33.93 67.65 2.6423 -1 2 2 35.70 30.61 2.5149 0 2 2 35.92 28.27 2.5004 -2 2 1 36.41 5.92 2.4676 2 1 0 36.95 15.36 2.4325 0 5 1 38.23 17.84 2.3543 2 2 0 38.34 13.88 2.3478 -1 5 1 38.74 22.78 2.3244 0 3 2 38.86 9.87 2.3176 -2 0 2 38.94 2.26 2.3129 -2 3 1 39.00 4.02 2.3097 1 4 1 39.44 10.07 2.2847 -2 1 2 39.72 3.41 2.2692 0 6 0 41.11 22.83 2.1959 2 3 0 41.14 7.06 2.1939 -2 2 2 42.68 4.60 2.1183 0 4 2 42.87 1.92 2.1096 -2 4 1 43.23 2.61 2.0927 0 6 1 43.48 1.04 2.0814 1 0 2 43.86 15.36 2.0640 -2 3 2 44.01 7.40 2.0575 1 1 2 44.45 6.04 2.0380 -1 6 1 44.88 1.66 2.0197 2 4 0 45.58 1.46 1.9904 1 2 2 45.63 11.21 1.9883 2 1 1 47.15 1.08 1.9276 2 2 1 47.27 11.02 1.9230 -1 1 3 47.36 2.35 1.9195 0 5 2 47.53 2.16 1.9130 -2 5 1 48.09 9.75 1.8919 1 3 2 49.39 9.24 1.8452 2 5 0 49.54 5.02 1.8401 1 6 1 49.61 1.79 1.8377 2 3 1 49.82 5.72 1.8304 0 7 1 50.31 12.90 1.8135 1 7 0 50.59 10.23 1.8042 0 0 3 50.63 1.96 1.8029 -2 1 3 50.92 3.90 1.7935 -1 7 1 51.15 3.47 1.7858 -1 3 3 51.28 10.01 1.7817 -3 1 1 51.35 19.28 1.7793 -1 6 2 51.46 32.38 1.7757 1 4 2 51.80 1.67 1.7649 -2 5 2 52.04 3.12 1.7573 -2 2 3 52.47 10.49 1.7440 0 2 3 52.58 1.97 1.7404 -3 0 2 52.64 13.71 1.7388 0 6 2 52.79 6.11 1.7340 -2 6 1 52.90 9.06 1.7306 2 4 1 53.05 1.08 1.7264 -3 1 2 53.87 18.50 1.7019 0 8 0 54.34 4.54 1.6884 -2 3 3 54.38 3.93 1.6871 -1 4 3 54.52 16.05 1.6830 2 6 0 54.89 2.55 1.6728 3 0 0 54.95 1.96 1.6709 -3 3 1 55.58 5.41 1.6536 1 5 2 56.64 7.27 1.6250 -3 3 2 56.66 12.07 1.6244 3 2 0 56.78 5.05 1.6214 -2 6 2 56.95 1.06 1.6171 2 5 1 57.44 10.24 1.6042 -2 4 3 58.04 1.96 1.5892 -3 4 1 58.35 4.02 1.5814 -1 5 3 58.43 1.78 1.5794 0 7 2 58.73 14.80 1.5722 2 0 2 59.16 1.22 1.5618 2 1 2 59.67 21.03 1.5496 -3 4 2 59.86 6.82 1.5450 -3 0 3 60.20 2.05 1.5372 2 7 0 61.06 2.99 1.5176 1 1 3 61.29 2.76 1.5125 -2 5 3 61.55 2.87 1.5067 -3 2 3 62.00 14.07 1.4967 1 8 1 62.31 2.23 1.4901 1 2 3 62.32 3.36 1.4898 -2 7 2 62.52 1.29 1.4856 2 3 2 63.43 3.71 1.4665 -3 5 2 63.58 1.80 1.4635 -1 8 2 63.89 2.26 1.4569 0 9 1 64.32 3.47 1.4484 1 9 0 64.70 1.96 1.4407 0 8 2 64.72 1.20 1.4403 -1 1 4 64.83 1.10 1.4381 -1 9 1 64.84 7.81 1.4379 -2 8 1 65.06 12.07 1.4336 -2 0 4 65.38 2.61 1.4273 2 4 2 65.69 1.63 1.4214 3 2 1 65.71 2.60 1.4211 1 7 2 65.80 1.51 1.4192 -2 6 3 66.17 2.73 1.4122 0 6 3 66.37 1.50 1.4085 2 8 0 66.95 3.08 1.3977 2 7 1 67.19 4.49 1.3933 1 4 3 67.69 4.30 1.3841 3 3 1 67.93 1.21 1.3799 -1 3 4 68.24 2.80 1.3744 -1 7 3 68.39 3.92 1.3717 -2 8 2 69.85 1.70 1.3465 0 1 4 69.86 6.10 1.3465 3 6 0 70.00 6.07 1.3441 -4 0 2 70.02 1.62 1.3438 -3 5 3 70.45 3.06 1.3366 3 4 1 70.68 11.89 1.3328 -1 4 4 70.94 1.06 1.3285 -2 7 3 71.02 1.28 1.3272 0 2 4 71.40 1.37 1.3212 -2 4 4 71.44 1.29 1.3205 0 9 2 71.47 3.10 1.3200 -3 7 1 72.00 4.28 1.3115 -3 1 4 72.95 2.83 1.2967 0 3 4 73.16 1.25 1.2937 -3 2 4 73.48 2.32 1.2888 -4 3 2 73.92 3.80 1.2822 3 5 1 73.96 2.80 1.2816 -4 3 1 74.26 1.18 1.2771 -3 6 3 74.78 4.25 1.2696 -4 1 3 74.96 1.35 1.2669 1 6 3 74.97 2.84 1.2668 -2 9 2 75.83 1.20 1.2546 4 0 0 76.14 2.22 1.2502 -4 4 2 76.20 2.75 1.2494 1 10 1 76.21 3.03 1.2493 4 1 0 76.62 3.50 1.2436 -4 4 1 77.03 5.68 1.2380 0 8 3 77.34 2.01 1.2338 4 2 0 77.63 9.20 1.2299 -1 10 2 77.71 2.89 1.2288 -3 4 4 77.77 2.73 1.2280 3 1 2 78.09 1.16 1.2239 3 6 1 78.10 1.02 1.2237 1 9 2 78.67 1.65 1.2163 0 10 2 78.80 3.33 1.2146 -2 10 1 78.83 2.06 1.2141 2 3 3 79.02 1.82 1.2118 0 5 4 79.26 1.94 1.2087 2 9 1 79.42 1.49 1.2066 0 11 1 79.53 1.04 1.2053 -4 5 2 79.86 1.14 1.2011 1 7 3 80.00 2.37 1.1994 -4 5 1 80.21 1.90 1.1967 2 10 0 80.28 1.36 1.1958 -1 11 1 80.47 1.59 1.1935 -1 9 3 81.44 2.56 1.1817 2 4 3 81.48 4.22 1.1813 1 2 4 83.11 2.22 1.1622 0 6 4 83.15 1.02 1.1617 -1 7 4 83.36 3.11 1.1593 3 4 2 83.54 2.23 1.1573 -3 9 1 83.76 7.22 1.1548 2 8 2 84.74 4.00 1.1439 -3 8 3 84.77 2.55 1.1436 2 5 3 84.89 2.35 1.1423 -4 2 4 86.73 1.50 1.1228 -4 3 4 87.20 1.45 1.1179 4 2 1 87.93 1.80 1.1104 0 12 1 87.98 1.23 1.1100 2 11 0 88.31 3.77 1.1067 1 12 0 88.78 1.61 1.1020 -1 12 1 89.36 6.49 1.0964 -2 8 4 89.93 2.50 1.0909 -3 7 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.