Pseudoboleite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130548 Giuseppetti G, Mazzi F, Tadini C Neues Jahrbuch fur Mineralogie, Monatshefte 1992 (1992) 113-126 The crystal structure of pseudoboleite: Pb31Cu24Cl62(OH)48; its relations with the structures of boleite and cumengeite Locality: Boleo, Baja California, Mexico _database_code_amcsd 0014859 CELL PARAMETERS: 15.2453 15.2453 30.8360 90.000 90.000 90.000 SPACE GROUP: I4/mmm ATOM X Y Z OCCUPANCY ISO(B) Pb 0.00000 0.27500 0.24210 1.000 2.282 Pb 0.30420 0.30420 0.15100 1.000 2.061 Pb 0.00000 0.50000 0.13510 1.000 2.432 Pb 0.27400 0.50000 0.00000 1.000 2.629 Pb 0.00000 0.00000 0.39270 0.687 2.219 Pb 0.00000 0.00000 0.37060 0.313 2.479 Pb 0.15470 0.00000 0.00000 0.476 4.469 Pb 0.00000 0.00000 0.08370 0.468 5.630 Pb 0.00000 0.50000 0.00000 0.449 4.272 Pb 0.00000 0.00000 0.27160 0.631 4.161 Cu 0.25660 0.09530 0.12670 1.000 1.690 Cu 0.25650 0.25650 0.04710 1.000 1.753 Cl 0.37810 0.11610 0.30760 1.000 2.440 Cl 0.38370 0.38370 0.05920 1.000 2.550 Cl 0.37800 0.37800 0.43830 1.000 4.122 Cl 0.35790 0.35790 0.25120 1.000 3.237 Cl 0.00000 0.17360 0.34020 1.000 3.348 Cl 0.00000 0.37040 0.43410 1.000 2.329 Cl 0.32650 0.00000 0.00000 1.000 2.606 Cl 0.00000 0.00000 0.17390 1.000 3.040 OH 0.19120 0.31180 0.09430 1.000 2.400 OH 0.31080 0.31080 0.34600 1.000 1.445 OH 0.00000 0.33060 0.10510 1.000 1.966 OH 0.00000 0.21080 0.16320 1.000 1.840 OH 0.20990 0.32930 0.00000 1.000 2.163 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 13 +/- 13 +/- 28 MAX. ABS. INTENSITY / VOLUME**2: 60.06261143 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 5.73 7.25 15.4180 0 0 2 6.47 12.09 13.6663 1 0 1 10.01 4.56 8.8347 1 1 2 10.38 1.75 8.5225 1 0 3 11.48 1.02 7.7090 0 0 4 14.12 1.73 6.2706 1 1 4 15.50 1.10 5.7171 1 0 5 15.60 17.91 5.6816 2 1 3 16.35 2.93 5.4203 2 0 4 16.45 1.22 5.3900 2 2 0 17.25 2.52 5.1393 0 0 6 17.43 8.44 5.0881 2 2 2 17.69 2.68 5.0141 3 0 1 18.40 3.01 4.8210 3 1 0 19.13 1.24 4.6391 1 1 6 19.29 5.69 4.6013 3 1 2 19.41 5.08 4.5737 2 1 5 19.49 14.34 4.5554 3 0 3 20.10 100.00 4.4174 2 2 4 20.85 4.97 4.2613 2 0 6 20.99 2.86 4.2320 1 0 7 21.21 2.41 4.1891 3 2 1 21.74 5.35 4.0875 3 1 4 22.74 19.91 3.9104 3 2 3 23.07 26.00 3.8545 0 0 8 23.34 49.72 3.8113 4 0 0 23.92 5.28 3.7195 2 2 6 24.05 2.17 3.7000 2 1 7 24.78 4.16 3.5934 3 3 0 25.33 19.27 3.5161 3 1 6 25.45 13.13 3.4996 3 3 2 25.60 2.69 3.4793 4 1 3 25.90 2.06 3.4397 2 0 8 26.08 1.87 3.4166 4 0 4 26.14 3.03 3.4090 4 2 0 26.78 3.61 3.3286 3 0 7 26.78 5.06 3.3286 4 2 2 28.14 2.91 3.1712 4 1 5 28.47 10.12 3.1353 2 2 8 28.63 20.68 3.1177 4 2 4 28.96 6.67 3.0836 0 0 10 29.17 13.01 3.0614 2 1 9 29.44 16.04 3.0343 5 0 1 29.67 2.99 3.0106 3 1 8 30.35 13.24 2.9449 3 3 6 30.58 1.98 2.9232 4 3 3 30.58 7.94 2.9232 5 0 3 31.29 8.10 2.8586 2 0 10 31.49 1.48 2.8408 3 0 9 31.59 2.37 2.8321 4 1 7 31.74 3.25 2.8191 5 2 1 32.11 1.01 2.7875 5 1 4 32.81 4.41 2.7294 5 2 3 33.05 37.42 2.7101 4 0 8 33.24 21.07 2.6950 4 4 0 33.48 1.88 2.6765 2 2 10 33.76 2.48 2.6548 4 4 2 34.30 3.71 2.6145 5 3 0 34.53 9.44 2.5977 3 1 10 34.60 7.07 2.5927 2 1 11 34.71 8.40 2.5843 5 1 6 34.80 5.26 2.5777 5 3 2 34.92 2.11 2.5697 0 0 12 35.14 15.02 2.5536 4 2 8 35.28 8.56 2.5440 4 4 4 35.32 7.80 2.5409 6 0 0 35.73 2.56 2.5132 4 1 9 35.82 10.08 2.5071 5 0 7 35.82 1.38 2.5071 4 3 7 35.93 1.27 2.4996 1 1 12 36.28 5.83 2.4760 5 3 4 36.61 1.30 2.4546 3 0 11 36.92 8.82 2.4350 6 1 3 37.52 2.97 2.3973 4 0 10 37.69 1.58 2.3868 4 4 6 37.77 11.51 2.3816 5 2 7 37.77 5.22 2.3816 6 2 2 37.90 8.42 2.3739 5 4 1 38.09 2.82 2.3624 5 1 8 38.47 9.47 2.3401 3 3 10 38.53 6.19 2.3364 3 2 11 38.64 20.87 2.3303 5 3 6 38.82 8.49 2.3196 2 2 12 39.16 14.41 2.3006 6 2 4 39.57 2.82 2.2777 4 3 9 39.57 1.22 2.2777 6 0 6 40.26 1.13 2.2403 2 1 13 40.38 1.31 2.2339 4 1 11 40.86 1.11 2.2087 4 4 8 40.98 1.03 2.2026 0 0 14 41.37 7.13 2.1824 5 2 9 41.75 3.44 2.1637 5 3 8 42.04 3.67 2.1494 3 0 13 42.10 3.24 2.1465 5 1 10 42.33 1.68 2.1352 5 5 2 42.33 1.27 2.1352 7 1 2 42.42 1.96 2.1306 4 0 12 42.62 3.93 2.1214 6 0 8 42.77 3.67 2.1141 6 4 0 43.19 4.44 2.0946 5 4 7 43.59 3.73 2.0763 5 5 4 43.59 2.79 2.0763 7 1 4 43.76 1.02 2.0687 3 2 13 43.87 1.84 2.0636 5 0 11 44.13 2.30 2.0520 4 2 12 44.14 5.18 2.0520 7 2 3 44.32 1.26 2.0438 6 2 8 44.43 1.74 2.0389 2 2 14 44.43 1.80 2.0389 6 4 4 44.66 1.90 2.0292 4 4 10 44.88 2.59 2.0197 6 3 7 45.26 5.28 2.0034 3 1 14 45.48 6.73 1.9942 5 3 10 45.63 3.78 1.9882 5 5 6 45.63 6.98 1.9882 7 1 6 45.70 7.37 1.9851 7 3 2 46.12 1.43 1.9682 2 1 15 46.44 3.48 1.9552 5 4 9 47.16 2.15 1.9273 0 0 16 47.41 1.26 1.9177 6 5 3 47.72 6.62 1.9057 8 0 0 48.63 1.38 1.8722 5 0 13 48.63 1.24 1.8722 4 3 13 48.74 1.78 1.8685 2 0 16 48.74 3.37 1.8684 6 1 11 48.82 2.33 1.8653 7 3 6 48.98 1.01 1.8598 4 4 12 49.15 3.29 1.8536 6 4 8 49.26 2.79 1.8500 8 0 4 49.29 1.03 1.8488 3 2 15 49.29 2.30 1.8488 8 2 0 50.28 4.60 1.8147 2 2 16 50.51 5.23 1.8068 6 0 12 50.78 10.95 1.7978 8 2 4 50.82 3.14 1.7967 6 6 0 51.12 1.14 1.7868 7 2 9 51.12 1.99 1.7868 8 0 6 51.29 1.34 1.7813 8 3 1 52.02 11.01 1.7581 6 2 12 52.02 1.31 1.7580 8 3 3 52.18 2.03 1.7529 2 1 17 52.28 5.59 1.7498 6 6 4 52.61 1.11 1.7396 8 2 6 53.02 2.10 1.7272 7 5 4 53.65 1.21 1.7083 8 0 8 53.78 1.15 1.7045 4 3 15 53.78 1.24 1.7045 8 4 0 54.21 1.18 1.6919 1 1 18 54.47 2.39 1.6845 5 3 14 54.66 1.82 1.6790 7 3 10 54.71 2.07 1.6777 7 2 11 54.79 2.18 1.6754 7 5 6 54.86 2.28 1.6736 9 1 2 55.19 1.06 1.6643 6 0 14 55.22 1.81 1.6634 5 2 15 55.57 1.30 1.6538 8 3 7 56.84 1.93 1.6199 5 1 16 57.07 1.24 1.6138 1 0 19 57.44 1.79 1.6042 7 0 13 57.75 1.26 1.5964 8 5 3 58.46 1.48 1.5788 2 1 19 58.91 1.03 1.5677 4 4 16 59.28 3.23 1.5589 8 4 8 60.00 1.21 1.5418 0 0 20 60.05 1.61 1.5407 5 5 14 60.05 2.20 1.5407 7 1 14 60.23 2.65 1.5365 7 5 10 60.41 1.85 1.5324 7 7 2 60.63 3.08 1.5273 5 2 17 60.75 3.63 1.5245 10 0 0 61.35 1.07 1.5112 2 0 20 61.53 1.54 1.5072 6 5 13 62.35 2.64 1.4892 9 2 9 62.50 1.27 1.4861 4 1 19 62.72 1.17 1.4814 7 3 14 62.85 1.27 1.4786 7 4 13 62.89 1.11 1.4777 9 1 10 63.01 1.22 1.4752 7 7 6 63.14 1.41 1.4725 6 6 12 63.40 1.42 1.4670 7 2 15 63.67 2.72 1.4616 8 5 9 64.90 1.16 1.4369 5 5 16 65.10 1.37 1.4329 5 3 18 65.50 1.34 1.4251 9 3 10 65.61 1.13 1.4229 9 5 6 65.74 1.22 1.4204 8 7 3 65.88 1.41 1.4177 10 0 8 65.97 1.89 1.4160 8 2 14 66.00 1.20 1.4155 6 5 15 66.00 1.74 1.4155 10 4 0 66.31 1.04 1.4096 10 4 2 66.57 1.75 1.4048 4 2 20 67.16 1.02 1.3938 10 2 8 67.88 1.61 1.3808 7 5 14 68.05 1.04 1.3777 7 7 10 69.35 4.79 1.3551 8 0 16 69.79 2.79 1.3475 8 8 0 70.17 1.08 1.3413 5 5 18 70.35 1.25 1.3383 4 4 20 70.56 2.68 1.3348 9 5 10 70.93 4.49 1.3287 10 4 8 72.37 1.05 1.3058 3 3 22 72.82 1.29 1.2988 6 2 20 73.13 4.87 1.2940 11 3 6 73.25 1.34 1.2922 10 2 12 73.47 1.49 1.2889 10 6 4 74.20 1.28 1.2780 3 2 23 77.11 2.16 1.2369 12 2 4 79.42 1.73 1.2066 8 5 17 79.42 1.09 1.2066 12 0 8 79.53 1.14 1.2052 12 4 0 79.89 1.26 1.2008 9 1 18 81.40 1.08 1.1822 10 5 13 84.83 1.72 1.1430 11 3 14 85.09 1.74 1.1401 11 7 6 88.47 1.25 1.1051 6 5 23 89.68 1.23 1.0933 13 1 10 89.84 1.36 1.0918 13 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.