Institute of Experimental Mineralogy Russian Academy of Sciences ------------------------------------------------- 142432, Chernogolovka, Moscow district A.V. Chichagov +7(496)52-22320 *** *** W W W - X R A Y P O L *** *********************** HIDALGOITE 1, t-alunite, g-beudantite PbAl(3)[AsO(4)][SO(4)](OH)(6) Hexagonal R 3(-)m Z = 4 R3(-)m 22 .2 .1995 Ref.Str.: Szymanski Jan T. (1988) * Canad. Mineral., 26, 923-932 Ref.Composition & Lattice: Povarennyh A.S. (1966) * Kristallohim. klassif. miner. vidov (in russian), 398 Reserv: The coordinates of atoms are from beudantite. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 7.04 alpha = 90.0 b = 7.04 beta = 90.0 c = 16.99 gamma = 120.0 Unit cell volume (cub. angs.) = 729.24 Molar volume ( cub.cm/mol.) = 109.81 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0 0.0 0.0 0.0 Pb = 1.00 2 0.0 0.0 0.3149 0.0 As = 0.5 , S = 0.5 3 0.0 0.5 0.5 0.0 Al = 1.00 4 0.0 0.0 0.4068 0.0 O = 1.00 5 0.2145 0.429 0.9468 0.0 O = 1.00 6 0.1254 0.2508 0.1343 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0 0.0 0.0 2 2 0.0 0.0 0.3149 3 3 0.0 0.5 0.5 4 4 0.0 0.0 0.4068 5 5 0.2145 0.429 0.9468 6 6 0.1254 0.2508 0.1343 7 3 0.5 0.5 0.5 8 3 0.5 0.0 0.5 9 5 0.571 0.7855 0.9468 10 5 0.2145 0.7855 0.9468 11 6 0.7492 0.8746 0.1343 12 6 0.1254 0.8746 0.1343 13 1 0.6667 0.3333 0.3333 14 1 0.3333 0.6667 0.6667 15 2 0.6667 0.3333 0.6482 16 2 0.3333 0.6667 0.9816 17 3 0.1667 0.8333 0.8333 18 3 0.8333 0.6667 0.1667 19 4 0.6667 0.3333 0.7401 20 4 0.3333 0.6667 0.0735 21 5 0.2377 0.1188 0.2801 22 5 0.5478 0.4522 0.6135 23 6 0.4159 0.2079 0.4676 24 6 0.4587 0.5413 0.801 25 3 0.1667 0.3333 0.8333 26 3 0.3333 0.1667 0.1667 27 3 0.6667 0.8333 0.8333 28 3 0.8333 0.1666 0.1667 29 5 0.8812 0.1188 0.2801 30 5 0.5478 0.0957 0.6135 31 5 0.8812 0.7623 0.2801 32 5 0.9043 0.4522 0.6135 33 6 0.7921 0.2079 0.4676 34 6 0.4587 0.9175 0.801 35 6 0.7921 0.5841 0.4676 36 6 0.0825 0.5412 0.801 37 2 0.0 0.0 0.6851 38 4 0.0 0.0 0.5932 39 5 0.7855 0.571 0.0532 40 6 0.8746 0.7492 0.8657 41 5 0.429 0.2145 0.0532 42 5 0.7855 0.2145 0.0532 43 6 0.2508 0.1254 0.8657 44 6 0.8746 0.1254 0.8657 45 2 0.3333 0.6667 0.3518 46 2 0.6667 0.3333 0.0184 47 4 0.3333 0.6667 0.2599 48 4 0.6667 0.3333 0.9265 49 5 0.7623 0.8812 0.7199 50 5 0.4522 0.5478 0.3865 51 6 0.5841 0.7921 0.5324 52 6 0.5413 0.4587 0.199 53 5 0.1188 0.8812 0.7199 54 5 0.4522 0.9043 0.3865 55 5 0.1188 0.2377 0.7199 56 5 0.0957 0.5478 0.3865 57 6 0.2079 0.7921 0.5324 58 6 0.5413 0.0825 0.199 59 6 0.2079 0.4159 0.5324 60 6 0.9175 0.4588 0.199 X-ray density (g/cm cub.) = 4.23 MU (1/cm) = 434.909 Mass attenuation coefficient (cm**2/g) = 102.865 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Pb 3.144 12 2.7673 5 2.7467 6 2.7673 5 2.7674 5 2.7467 6 2.7468 6 2.7673 5 2.7467 6 2.7673 5 2.7674 5 2.7467 6 2.7468 6 2 As ,S 2.46 4 1.5614 4 1.5648 5 1.5648 5 1.5648 5 3 Al 2.316 6 2.014 5 1.9139 6 1.914 6 2.014 5 1.9139 6 1.914 6 4 O 3.264 7 2.5944 5 2.738 6 2.5945 5 2.5944 5 2.738 6 2.738 6 3.1669 4 5 O 3.264 9 2.5097 5 2.5097 5 2.5943 4 2.8916 6 2.8916 6 3.1794 5 3.1795 5 2.6605 6 2.6605 6 6 O 3.264 9 2.6485 6 2.6485 6 2.738 4 2.8915 5 2.8915 5 2.6605 5 2.6606 5 2.7638 6 2.7638 6 X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.): No H K L Theta 2*Theta S LPG MF F I int. ( degree ) *100 1 1 0 1 7.714 15.428 0.087 108.05 6 196.8 4720.7 2 0 0 3 7.817 15.634 0.088 105.16 2 212.5 1786.0 3 1 0 -2 8.946 17.893 0.101 79.77 6 64.9 379.4 4 1 1 0 12.64 25.281 0.142 38.9 6 313.2 4304.6 5 1 0 4 12.769 25.538 0.143 38.08 6 146.0 915.4 6 2 0 -1 14.875 29.751 0.167 27.53 6 4.7 0.7 7 1 1 3 14.931 29.862 0.167 27.31 12 357.1 7858.8 8 1 0 -5 15.041 30.083 0.168 26.89 6 71.0 152.9 9 2 0 2 15.573 31.145 0.174 24.96 6 158.6 707.8 10 0 0 6 15.785 31.569 0.177 24.24 2 333.6 1014.4 11 2 0 -4 18.121 36.242 0.202 17.95 6 201.9 825.8 12 2 1 1 19.714 39.428 0.219 14.9 12 143.2 689.8 13 2 0 5 19.844 39.688 0.22 14.69 6 172.0 490.4 14 1 0 7 19.973 39.947 0.222 14.48 6 356.0 2069.8 15 2 1 -2 20.264 40.528 0.225 14.02 12 197.2 1230.4 16 1 1 6 20.433 40.867 0.227 13.76 12 210.8 1380.4 17 3 0 0 22.273 44.546 0.246 11.34 6 203.1 528.1 18 2 1 4 22.352 44.704 0.247 11.25 12 173.2 761.8 19 1 0 -8 22.586 45.172 0.249 10.99 6 89.3 98.9 20 3 0 -3 23.746 47.493 0.261 9.81 6 412.9 1887.7 21 3 0 3 23.746 47.493 0.261 9.81 6 215.0 511.9 22 2 1 -5 23.821 47.642 0.262 9.74 12 124.2 339.2 23 2 0 -7 23.933 47.866 0.263 9.64 6 89.6 87.4 24 0 0 9 24.081 48.163 0.265 9.51 2 76.1 20.7 25 2 2 0 25.955 51.909 0.284 8.02 6 411.9 1534.2 26 2 0 8 26.234 52.468 0.287 7.82 6 152.3 204.7 27 3 1 -1 27.244 54.488 0.297 7.18 12 125.5 255.0 28 2 2 3 27.278 54.556 0.297 7.16 12 177.4 508.3 29 2 1 7 27.447 54.894 0.299 7.06 12 191.7 585.1 30 1 1 9 27.582 55.163 0.301 6.98 12 232.2 849.6 31 3 1 2 27.676 55.351 0.301 6.93 12 62.1 60.3 32 3 0 -6 27.81 55.619 0.303 6.85 6 199.2 306.8 33 3 0 6 27.81 55.619 0.303 6.85 6 196.9 299.6 34 1 0 10 28.076 56.153 0.306 6.7 6 199.0 299.6 35 3 1 -4 29.36 58.721 0.318 6.06 12 90.3 111.6 36 2 1 -8 29.554 59.107 0.32 5.97 12 12.8 2.2 37 4 0 1 30.49 60.981 0.329 5.57 6 44.2 12.2 38 3 1 5 30.585 61.17 0.33 5.53 12 171.4 366.6 39 4 0 -2 30.893 61.786 0.333 5.41 6 209.1 266.7 40 1 0 -11 30.962 61.923 0.334 5.38 6 74.6 33.8 41 2 2 6 31.018 62.036 0.334 5.36 12 283.1 969.5 42 2 0 -10 31.267 62.535 0.337 5.27 6 386.9 889.3 43 4 0 4 32.474 64.948 0.349 4.85 6 222.1 269.9 44 0 0 12 32.96 65.919 0.353 4.7 2 169.2 50.6 45 3 2 1 33.544 67.087 0.359 4.53 12 156.9 251.2 46 4 0 -5 33.633 67.267 0.36 4.5 6 55.5 15.7 47 3 1 -7 33.723 67.446 0.36 4.47 12 210.7 448.5 48 3 0 -9 33.843 67.685 0.362 4.44 6 289.4 419.7 49 3 0 9 33.843 67.685 0.362 4.44 6 180.2 162.8 50 3 2 -2 33.926 67.852 0.362 4.42 12 38.6 14.9 51 2 0 11 33.992 67.983 0.363 4.4 6 6.1 0.2 52 2 1 10 34.283 68.566 0.366 4.32 12 157.3 241.4 53 4 1 0 35.378 70.756 0.376 4.06 12 237.6 516.8 54 3 2 4 35.436 70.873 0.376 4.04 12 100.8 92.7 55 3 1 8 35.612 71.223 0.378 4.0 12 66.6 40.0 56 1 1 12 35.902 71.805 0.381 3.94 12 171.0 260.0 57 4 1 -3 36.493 72.987 0.386 3.82 12 235.1 476.4 58 4 1 3 36.493 72.987 0.386 3.82 12 277.2 661.8 59 3 2 -5 36.551 73.102 0.387 3.81 12 62.7 33.7 60 4 0 7 36.638 73.275 0.387 3.79 6 83.3 29.6 61 2 2 9 36.753 73.505 0.388 3.77 12 114.8 112.1 62 2 1 -11 36.897 73.793 0.39 3.74 12 66.6 37.5 63 1 0 13 37.069 74.138 0.391 3.71 6 220.4 203.2 64 4 0 -8 38.466 76.932 0.404 3.47 6 103.0 41.5 65 5 0 -1 39.296 78.593 0.411 3.35 6 113.2 48.4 66 3 2 7 39.465 78.93 0.413 3.32 12 278.0 579.9 67 5 0 2 39.656 79.313 0.414 3.3 6 159.5 94.7 68 4 1 -6 39.769 79.537 0.415 3.28 12 178.0 234.8 69 4 1 6 39.769 79.537 0.415 3.28 12 163.7 198.7 70 2 0 -13 39.886 79.773 0.416 3.27 6 147.0 79.7 71 3 1 -10 39.993 79.986 0.417 3.26 12 223.8 368.0 72 1 0 -14 40.329 80.658 0.42 3.21 6 93.8 31.9 73 3 3 0 41.033 82.065 0.426 3.13 6 309.1 337.8 74 5 0 -4 41.088 82.177 0.427 3.13 6 149.9 79.3 75 3 2 -8 41.255 82.511 0.428 3.11 12 84.3 49.9 76 3 0 -12 41.534 83.067 0.43 3.08 6 126.2 55.4 77 3 0 12 41.534 83.067 0.43 3.08 6 244.3 207.5 78 4 2 -1 42.073 84.145 0.435 3.03 12 50.3 17.3 79 3 3 3 42.1 84.201 0.435 3.03 12 231.6 366.6 80 5 0 5 42.156 84.311 0.436 3.02 6 84.1 24.1 81 4 2 2 42.427 84.855 0.438 3.0 12 133.8 121.3 82 3 1 11 42.488 84.977 0.438 3.0 12 76.2 39.2 83 2 1 13 42.654 85.309 0.44 2.98 12 239.3 385.4 84 4 0 10 42.76 85.52 0.441 2.97 6 256.6 220.8 85 0 0 15 42.848 85.696 0.441 2.97 2 148.0 24.4 86 2 0 14 43.092 86.184 0.443 2.95 6 115.7 44.5 87 4 2 -4 43.844 87.688 0.45 2.89 12 187.2 228.9 88 2 2 12 44.286 88.571 0.453 2.87 12 205.3 272.6 89 5 1 1 44.821 89.643 0.458 2.84 12 98.9 62.6 90 4 2 5 44.904 89.808 0.458 2.83 12 4.2 0.1 91 5 0 -7 44.987 89.974 0.459 2.83 6 154.6 76.2 X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.): No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si) ( degree ) (angstrem) *100 *100 1 1 0 1 7.714 15.428 5.73852 4720.7 60.1 60.7 5.6 2 0 0 3 7.817 15.634 5.66333 1786.0 22.7 23.0 5.6 3 1 0 2 8.946 17.893 4.95319 379.4 4.8 4.9 5.6 4 1 1 0 12.64 25.281 3.52 4304.6 54.8 55.0 5.6 5 1 0 4 12.769 25.538 3.48512 915.4 11.6 11.7 5.6 6 1 1 3 14.931 29.862 2.98959 7858.8 100.0 100.0 5.6 7 1 0 5 15.041 30.083 2.96814 152.9 1.9 1.9 5.6 8 2 0 2 15.573 31.145 2.86926 707.8 9.0 9.0 5.6 9 0 0 6 15.785 31.569 2.83167 1014.4 12.9 12.9 5.6 10 2 0 4 18.121 36.242 2.47659 825.8 10.5 10.4 5.7 11 2 1 1 19.714 39.428 2.28347 689.8 8.8 8.7 5.7 12 2 0 5 19.844 39.688 2.26911 490.4 6.2 6.2 5.7 13 1 0 7 19.973 39.947 2.25502 2069.8 26.3 26.1 5.7 14 2 1 2 20.264 40.528 2.22401 1230.4 15.7 15.5 5.7 15 1 1 6 20.433 40.867 2.20636 1380.4 17.6 17.4 5.7 16 3 0 0 22.273 44.546 2.03227 528.1 6.7 6.6 5.7 17 2 1 4 22.352 44.704 2.02549 761.8 9.7 9.6 5.7 18 1 0 8 22.586 45.172 2.00556 98.9 1.3 1.2 5.7 19 3 0 3 23.746 47.493 1.91284 2399.6 30.5 30.0 5.7 20 2 1 5 23.821 47.642 1.90719 339.2 4.3 4.2 5.7 21 2 0 7 23.933 47.866 1.8988 87.4 1.1 1.1 5.7 22 2 2 0 25.955 51.909 1.76 1534.2 19.5 19.1 5.8 23 2 0 8 26.234 52.468 1.74256 204.7 2.6 2.5 5.8 24 3 1 1 27.244 54.488 1.68264 255.0 3.2 3.2 5.8 25 2 2 3 27.278 54.556 1.68071 508.3 6.5 6.3 5.8 26 2 1 7 27.447 54.894 1.67116 585.1 7.4 7.3 5.8 27 1 1 9 27.582 55.163 1.66363 849.6 10.8 10.5 5.8 28 3 0 6 27.81 55.619 1.65106 606.4 7.7 7.5 5.8 29 1 0 10 28.076 56.153 1.63664 299.6 3.8 3.7 5.8 30 3 1 4 29.36 58.721 1.57103 111.6 1.4 1.4 5.8 31 3 1 5 30.585 61.17 1.51387 366.6 4.7 4.5 5.8 32 4 0 2 30.893 61.786 1.50025 266.7 3.4 3.3 5.8 33 2 2 6 31.018 62.036 1.4948 969.5 12.3 11.9 5.8 34 2 0 10 31.267 62.535 1.48407 889.3 11.3 10.9 5.8 35 4 0 4 32.474 64.948 1.43463 269.9 3.4 3.3 5.9 36 3 2 1 33.544 67.087 1.39399 251.2 3.2 3.1 5.9 37 3 1 7 33.723 67.446 1.38744 448.5 5.7 5.5 5.9 38 3 0 9 33.843 67.685 1.38312 582.5 7.4 7.1 5.9 39 2 1 10 34.283 68.566 1.3675 241.4 3.1 2.9 5.9 40 4 1 0 35.378 70.756 1.33044 516.8 6.6 6.2 5.9 41 3 2 4 35.436 70.873 1.32853 92.7 1.2 1.1 5.9 42 1 1 12 35.902 71.805 1.31356 260.0 3.3 3.1 5.9 43 4 1 3 36.493 72.987 1.29518 1138.2 14.5 13.7 6.0 44 2 2 9 36.753 73.505 1.28731 112.1 1.4 1.3 6.0 45 1 0 13 37.069 74.138 1.27789 203.2 2.6 2.4 6.0 46 3 2 7 39.465 78.93 1.21188 579.9 7.4 6.9 6.0 47 5 0 2 39.656 79.313 1.20699 94.7 1.2 1.1 6.0 48 4 1 6 39.769 79.537 1.20415 433.5 5.5 5.1 6.0 49 2 0 13 39.886 79.773 1.20119 79.7 1.0 0.9 6.0 50 3 1 10 39.993 79.986 1.19852 368.0 4.7 4.4 6.0 51 3 3 0 41.033 82.065 1.17333 337.8 4.3 4.0 6.1 52 5 0 4 41.088 82.177 1.17202 79.3 1.0 0.9 6.1 53 3 0 12 41.534 83.067 1.16171 262.9 3.3 3.1 6.1 54 3 3 3 42.1 84.201 1.14893 383.9 4.9 4.5 6.1 55 4 2 2 42.427 84.855 1.14174 121.3 1.5 1.4 6.1 56 2 1 13 42.654 85.309 1.13682 385.4 4.9 4.5 6.1 57 4 0 10 42.76 85.52 1.13456 220.8 2.8 2.6 6.1 58 4 2 4 43.844 87.688 1.112 228.9 2.9 2.7 6.2 59 2 2 12 44.286 88.571 1.10318 272.6 3.5 3.2 6.2 Reference: Chichagov A.V. et al. Information-Calculating System on Crystal Structure Data of Minerals (MINCRYST) - Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian) |