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 *** *********************** APATITE 8, Sr, f-apatite [Ca(9.53)Sr(0.4)Na(0.09)Ce(0.06)][PO(4)](3)F(2.18) Hexagonal P 6(3)/m Z = 2 R =0.015 NR =1740 16 .2 .1993 Ref.Str.: Hugnes J.M., Cameron M., Crowley K.D. (1991) * Amer. Mineral., 76, 1857-1862 Reserv: N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 9.3802 alpha = 90.0 b = 9.3802 beta = 90.0 c = 6.9011 gamma = 120.0 Unit cell volume (cub. angs.) = 525.86 Molar volume ( cub.cm/mol.) = 158.37 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.6667 0.3333 0.0009 0.85 Ca = 0.98, Sr = 0.02 2 0.9915 0.2405 0.25 0.79 Ca = 0.91, Sr = 0.09 3 0.3691 0.3984 0.25 0.6 P = 1.00 4 0.4846 0.3269 0.25 0.95 O = 1.00 5 0.4665 0.5877 0.25 1.13 O = 1.00 6 0.2574 0.3416 0.0711 1.26 O = 1.00 7 0.0 0.0 0.25 2.0 F = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.6667 0.3333 0.0009 2 2 0.9915 0.2405 0.25 3 3 0.3691 0.3984 0.25 4 4 0.4846 0.3269 0.25 5 5 0.4665 0.5877 0.25 6 6 0.2574 0.3416 0.0711 7 7 0.0 0.0 0.25 8 2 0.7595 0.751 0.25 9 2 0.249 0.0085 0.25 10 3 0.6016 0.9707 0.25 11 3 0.0293 0.6309 0.25 12 4 0.6731 0.1577 0.25 13 4 0.8423 0.5154 0.25 14 5 0.4123 0.8788 0.25 15 5 0.1212 0.5335 0.25 16 6 0.6584 0.9158 0.0711 17 6 0.0842 0.7426 0.0711 18 1 0.3333 0.6667 0.5009 19 2 0.0085 0.7595 0.75 20 3 0.6309 0.6016 0.75 21 4 0.5154 0.6731 0.75 22 5 0.5335 0.4123 0.75 23 6 0.7426 0.6584 0.5711 24 7 0.0 0.0 0.75 25 2 0.2405 0.249 0.75 26 2 0.751 0.9915 0.75 27 3 0.3984 0.0293 0.75 28 3 0.9707 0.3691 0.75 29 4 0.3269 0.8423 0.75 30 4 0.1577 0.4846 0.75 31 5 0.5877 0.1212 0.75 32 5 0.8788 0.4665 0.75 33 6 0.3416 0.0842 0.5711 34 6 0.9158 0.2574 0.5711 35 1 0.6667 0.3333 0.4991 36 6 0.2574 0.3416 0.4289 37 6 0.6584 0.9158 0.4289 38 6 0.0842 0.7426 0.4289 39 1 0.3333 0.6667 0.9991 40 6 0.7426 0.6584 0.9289 41 6 0.3416 0.0842 0.9289 42 6 0.9158 0.2574 0.9289 X-ray density (g/cm cub.) = 3.28 MU (1/cm) = 273.238 Mass attenuation coefficient (cm**2/g) = 83.336 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Ca ,Sr 3.072 9 2.4028 4 2.4028 4 2.4028 4 2.4559 5 2.4558 5 2.4558 5 2.8071 6 2.8071 6 2.8069 6 2 Ca ,Sr 3.072 7 2.5061 6 2.2967 7 2.6837 4 2.3857 5 2.3563 6 2.5061 6 2.3563 6 3 P 2.232 4 1.533 4 1.538 5 1.5322 6 1.5322 6 4 O 3.264 7 2.5355 5 2.5257 6 2.9073 4 2.9073 4 2.973 6 2.5257 6 2.973 6 5 O 3.264 9 2.5355 4 2.4845 6 3.017 5 3.017 5 2.9489 6 3.2156 6 2.4845 6 2.9489 6 3.2156 6 6 O 3.264 9 2.5257 4 2.4845 5 3.144 7 2.9489 5 3.2156 5 2.9731 4 2.4692 6 3.0533 6 3.0535 6 7 F 3.228 6 3.144 6 3.144 6 3.144 6 3.144 6 3.144 6 3.144 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 0 5.441 10.882 0.062 219.47 6 14.5 100.2 2 1 0 1 8.422 16.843 0.095 90.3 12 11.7 53.4 3 1 1 0 9.453 18.906 0.107 71.22 6 13.5 28.2 4 2 0 0 10.932 21.864 0.123 52.71 6 31.2 111.0 5 1 1 1 11.454 22.907 0.129 47.83 12 16.9 59.5 6 2 0 1 12.712 25.424 0.143 38.44 12 11.7 23.0 7 0 0 2 12.899 25.798 0.145 37.27 2 155.2 649.7 8 1 0 2 14.036 28.073 0.157 31.17 12 41.2 229.4 9 1 2 0 14.529 29.058 0.163 28.96 6 64.5 261.8 10 2 1 0 14.529 29.058 0.163 28.96 6 19.8 24.5 11 1 2 1 15.937 31.874 0.178 23.74 12 109.5 1235.6 12 2 1 1 15.937 31.874 0.178 23.74 12 73.3 552.9 13 1 1 2 16.09 32.179 0.18 23.26 12 83.9 711.0 14 3 0 0 16.527 33.054 0.185 21.95 6 139.3 924.1 15 2 0 2 17.032 34.065 0.19 20.56 12 63.8 363.6 16 3 0 1 17.793 35.586 0.198 18.69 12 25.6 53.2 17 2 2 0 19.176 38.352 0.213 15.85 6 9.7 3.2 18 1 2 2 19.622 39.244 0.218 15.06 12 29.3 56.1 19 2 1 2 19.622 39.244 0.218 15.06 12 15.9 16.4 20 1 3 0 19.992 39.983 0.222 14.45 6 48.7 74.2 21 3 1 0 19.992 39.983 0.222 14.45 6 92.6 269.1 22 2 2 1 20.299 40.598 0.225 13.97 12 29.8 54.0 23 1 0 3 20.366 40.732 0.226 13.86 12 9.4 5.3 24 1 3 1 21.078 42.156 0.233 12.84 12 23.6 31.1 25 3 1 1 21.078 42.156 0.233 12.84 12 32.1 57.5 26 3 0 2 21.198 42.397 0.235 12.68 12 17.4 16.7 27 1 1 3 21.898 43.796 0.242 11.79 12 41.2 86.6 28 4 0 0 22.289 44.579 0.246 11.32 6 34.3 28.9 29 2 0 3 22.633 45.266 0.25 10.94 12 35.7 60.6 30 4 0 1 23.289 46.578 0.257 10.26 12 9.1 3.7 31 2 2 2 23.4 46.8 0.258 10.15 12 102.5 463.0 32 1 3 2 24.099 48.197 0.265 9.49 12 45.5 85.3 33 3 1 2 24.099 48.197 0.265 9.49 12 58.2 139.6 34 2 3 0 24.413 48.827 0.268 9.21 6 6.2 0.8 35 3 2 0 24.413 48.827 0.268 9.21 6 53.3 56.8 36 1 2 3 24.734 49.468 0.272 8.95 12 104.7 425.4 37 2 1 3 24.734 49.468 0.272 8.95 12 68.7 183.3 38 2 3 1 25.348 50.697 0.278 8.46 12 64.6 153.3 39 3 2 1 25.348 50.697 0.278 8.46 12 60.8 135.7 40 1 4 0 25.755 51.51 0.282 8.16 6 74.8 99.1 41 4 1 0 25.755 51.51 0.282 8.16 6 86.2 131.6 42 3 0 3 26.064 52.127 0.285 7.94 12 21.8 16.3 43 4 0 2 26.11 52.221 0.286 7.91 12 83.7 240.6 44 0 0 4 26.517 53.035 0.29 7.63 2 220.9 269.5 45 1 4 1 26.656 53.312 0.291 7.54 12 19.5 12.5 46 4 1 1 26.656 53.312 0.291 7.54 12 12.8 5.4 47 1 0 4 27.157 54.313 0.296 7.23 12 12.4 4.8 48 2 2 3 27.973 55.947 0.304 6.76 12 7.0 1.4 49 2 3 2 28.018 56.036 0.305 6.74 12 60.1 105.7 50 3 2 2 28.018 56.036 0.305 6.74 12 13.2 5.1 51 5 0 0 28.301 56.602 0.308 6.58 6 21.6 6.7 52 1 1 4 28.406 56.812 0.309 6.53 12 14.7 6.1 53 1 3 3 28.591 57.181 0.311 6.43 12 32.5 29.5 54 3 1 3 28.591 57.181 0.311 6.43 12 28.6 22.9 55 2 0 4 29.017 58.035 0.315 6.22 12 6.3 1.1 56 5 0 1 29.148 58.296 0.316 6.16 12 29.8 23.7 57 1 4 2 29.243 58.486 0.317 6.11 12 15.6 6.5 58 4 1 2 29.243 58.486 0.317 6.11 12 8.8 2.1 59 3 3 0 29.519 59.037 0.32 5.99 6 27.2 9.6 60 2 4 0 30.116 60.231 0.326 5.72 6 18.7 4.3 61 4 2 0 30.116 60.231 0.326 5.72 6 78.8 77.2 62 3 3 1 30.344 60.688 0.328 5.63 12 56.9 79.2 63 4 0 3 30.394 60.788 0.328 5.61 12 5.1 0.6 64 1 2 4 30.805 61.611 0.332 5.44 12 31.7 23.7 65 2 1 4 30.805 61.611 0.332 5.44 12 42.2 42.0 66 2 4 1 30.931 61.863 0.334 5.39 12 13.5 4.3 67 4 2 1 30.931 61.863 0.334 5.39 12 38.2 34.1 68 5 0 2 31.603 63.206 0.34 5.14 12 91.3 186.0 69 1 5 0 31.867 63.733 0.343 5.05 6 44.5 21.7 70 5 1 0 31.867 63.733 0.343 5.05 6 0.0 0.0 71 3 0 4 31.964 63.928 0.344 5.02 12 78.9 135.5 72 2 3 3 32.136 64.273 0.345 4.96 12 68.3 100.4 73 3 2 3 32.136 64.273 0.345 4.96 12 22.5 10.9 74 1 5 1 32.657 65.315 0.35 4.79 12 70.2 102.6 75 5 1 1 32.657 65.315 0.35 4.79 12 26.1 14.2 76 3 3 2 32.746 65.492 0.351 4.76 12 38.4 30.5 77 1 4 3 33.27 66.539 0.356 4.6 12 25.7 13.2 78 4 1 3 33.27 66.539 0.356 4.6 12 26.9 14.5 79 2 4 2 33.31 66.62 0.356 4.59 12 24.9 12.4 80 4 2 2 33.31 66.62 0.356 4.59 12 18.7 7.0 81 2 2 4 33.661 67.322 0.36 4.49 12 0.4 0.0 82 1 3 4 34.217 68.434 0.365 4.34 12 13.6 3.5 83 3 1 4 34.217 68.434 0.365 4.34 12 15.9 4.8 84 1 0 5 34.478 68.955 0.367 4.27 12 7.4 1.0 85 6 0 0 34.675 69.351 0.369 4.22 6 22.6 4.7 86 1 5 2 34.974 69.947 0.372 4.15 12 28.8 15.0 87 5 1 2 34.974 69.947 0.372 4.15 12 36.3 23.8 88 3 4 0 35.224 70.448 0.374 4.09 6 26.9 6.4 89 4 3 0 35.224 70.448 0.374 4.09 6 1.0 0.0 90 6 0 1 35.435 70.869 0.376 4.04 12 7.5 1.0 91 5 0 3 35.481 70.962 0.377 4.03 12 14.5 3.7 92 1 1 5 35.574 71.147 0.378 4.01 12 13.4 3.1 93 4 0 4 35.861 71.723 0.38 3.95 12 27.0 12.4 94 3 4 1 35.978 71.956 0.381 3.92 12 64.4 70.6 95 4 3 1 35.978 71.956 0.381 3.92 12 11.1 2.1 96 2 0 5 36.116 72.233 0.383 3.89 12 12.2 2.5 97 2 5 0 36.31 72.621 0.384 3.85 6 69.9 40.9 98 5 2 0 36.31 72.621 0.384 3.85 6 32.9 9.0 99 3 3 3 36.564 73.128 0.387 3.8 12 22.4 8.3 100 2 5 1 37.055 74.111 0.391 3.71 12 41.4 27.6 101 5 2 1 37.055 74.111 0.391 3.71 12 32.0 16.5 102 2 4 3 37.101 74.202 0.392 3.7 12 12.5 2.5 103 4 2 3 37.101 74.202 0.392 3.7 12 58.6 55.1 104 2 3 4 37.475 74.949 0.395 3.63 12 8.6 1.2 105 3 2 4 37.475 74.949 0.395 3.63 12 29.1 13.4 106 6 0 2 37.673 75.346 0.397 3.6 12 34.7 18.8 107 1 2 5 37.726 75.451 0.397 3.59 12 65.6 67.0 108 2 1 5 37.726 75.451 0.397 3.59 12 44.6 31.0 109 3 4 2 38.204 76.409 0.401 3.51 12 7.5 0.8 110 4 3 2 38.204 76.409 0.401 3.51 12 47.7 34.7 111 1 6 0 38.447 76.893 0.404 3.47 6 54.8 22.7 112 6 1 0 38.447 76.893 0.404 3.47 6 45.3 15.4 113 1 4 4 38.537 77.073 0.404 3.46 12 54.2 44.1 114 4 1 4 38.537 77.073 0.404 3.46 12 73.4 80.8 115 1 5 3 38.695 77.391 0.406 3.43 12 64.7 62.3 116 5 1 3 38.695 77.391 0.406 3.43 12 9.0 1.2 117 3 0 5 38.785 77.57 0.407 3.42 12 11.3 1.9 118 1 6 1 39.177 78.355 0.41 3.36 12 26.6 10.4 119 6 1 1 39.177 78.355 0.41 3.36 12 24.7 8.9 120 2 5 2 39.26 78.52 0.411 3.35 12 31.6 14.5 121 5 2 2 39.26 78.52 0.411 3.35 12 79.7 92.5 122 2 2 5 40.359 80.718 0.42 3.21 12 24.8 8.6 123 5 0 4 40.635 81.27 0.423 3.18 12 36.7 18.6 124 1 3 5 40.88 81.76 0.425 3.15 12 15.0 3.1 125 3 1 5 40.88 81.76 0.425 3.15 12 22.9 7.2 126 4 4 0 41.067 82.134 0.426 3.13 6 72.5 35.7 127 6 0 3 41.312 82.623 0.429 3.11 12 2.4 0.1 128 1 6 2 41.349 82.698 0.429 3.1 12 7.4 0.7 129 6 1 2 41.349 82.698 0.429 3.1 12 30.9 12.9 130 3 5 0 41.586 83.173 0.431 3.08 6 23.0 3.5 131 5 3 0 41.586 83.173 0.431 3.08 6 35.8 8.6 132 7 0 0 41.586 83.173 0.431 3.08 6 14.7 1.4 133 3 3 4 41.675 83.349 0.432 3.07 12 29.7 11.7 134 4 4 1 41.786 83.573 0.433 3.06 12 34.3 15.6 135 3 4 3 41.831 83.661 0.433 3.05 12 70.2 65.3 136 4 3 3 41.831 83.661 0.433 3.05 12 2.5 0.1 137 0 0 6 42.044 84.088 0.435 3.03 2 118.0 30.6 138 2 4 4 42.193 84.386 0.436 3.02 12 44.5 26.0 139 4 2 4 42.193 84.386 0.436 3.02 12 53.1 36.9 140 3 5 1 42.304 84.609 0.437 3.01 12 13.0 2.2 141 5 3 1 42.304 84.609 0.437 3.01 12 5.8 0.4 142 7 0 1 42.304 84.609 0.437 3.01 12 3.7 0.2 143 4 0 5 42.436 84.873 0.438 3.0 12 10.5 1.4 144 1 0 6 42.562 85.123 0.439 2.99 12 26.6 9.2 145 2 5 3 42.865 85.731 0.442 2.96 12 40.6 21.2 146 5 2 3 42.865 85.731 0.442 2.96 12 29.3 11.1 147 2 6 0 43.139 86.277 0.444 2.94 6 9.0 0.5 148 6 2 0 43.139 86.277 0.444 2.94 6 26.2 4.4 149 1 1 6 43.594 87.188 0.448 2.91 12 69.3 60.7 150 1 5 4 43.742 87.485 0.449 2.9 12 51.8 33.8 151 5 1 4 43.742 87.485 0.449 2.9 12 2.0 0.1 152 2 6 1 43.853 87.707 0.45 2.89 12 2.1 0.1 153 6 2 1 43.853 87.707 0.45 2.89 12 17.8 4.0 154 4 4 2 43.934 87.869 0.45 2.89 12 24.7 7.6 155 2 3 5 43.985 87.97 0.451 2.89 12 39.4 19.5 156 3 2 5 43.985 87.97 0.451 2.89 12 46.8 27.4 157 2 0 6 44.11 88.22 0.452 2.88 12 17.1 3.7 158 3 5 2 44.45 88.899 0.455 2.86 12 66.2 54.3 159 5 3 2 44.45 88.899 0.455 2.86 12 65.8 53.7 160 7 0 2 44.45 88.899 0.455 2.86 12 35.0 15.1 161 1 6 3 44.928 89.856 0.458 2.83 12 6.8 0.6 162 6 1 3 44.928 89.856 0.458 2.83 12 24.6 7.4 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 0 5.441 10.882 8.12349 100.2 5.6 5.7 5.6 2 1 0 1 8.422 16.843 5.25946 53.4 3.0 3.0 5.6 3 1 1 0 9.453 18.906 4.6901 28.2 1.6 1.6 5.6 4 2 0 0 10.932 21.864 4.06175 111.0 6.2 6.3 5.6 5 1 1 1 11.454 22.907 3.87906 59.5 3.3 3.4 5.6 6 2 0 1 12.712 25.424 3.50045 23.0 1.3 1.3 5.6 7 0 0 2 12.899 25.798 3.45055 649.7 36.3 36.5 5.6 8 1 0 2 14.036 28.073 3.17592 229.4 12.8 12.9 5.6 9 1 2 0 14.529 29.058 3.07039 286.3 16.0 16.0 5.6 10 1 2 1 15.937 31.874 2.80527 1788.5 100.0 100.0 5.6 11 1 1 2 16.09 32.179 2.77939 711.0 39.8 39.7 5.6 12 3 0 0 16.527 33.054 2.70783 924.1 51.7 51.6 5.6 13 2 0 2 17.032 34.065 2.62973 363.6 20.3 20.3 5.7 14 3 0 1 17.793 35.586 2.52073 53.2 3.0 3.0 5.7 15 1 2 2 19.622 39.244 2.29377 72.5 4.1 4.0 5.7 16 3 1 0 19.992 39.983 2.25305 343.3 19.2 19.0 5.7 17 2 2 1 20.299 40.598 2.22036 54.0 3.0 3.0 5.7 18 3 1 1 21.078 42.156 2.1418 88.5 4.9 4.9 5.7 19 1 1 3 21.898 43.796 2.06532 86.6 4.8 4.8 5.7 20 4 0 0 22.289 44.579 2.03087 28.9 1.6 1.6 5.7 21 2 0 3 22.633 45.266 2.00164 60.6 3.4 3.3 5.7 22 2 2 2 23.4 46.8 1.93953 463.0 25.9 25.5 5.7 23 3 1 2 24.099 48.197 1.88651 224.9 12.6 12.4 5.7 24 3 2 0 24.413 48.827 1.86366 56.8 3.2 3.1 5.7 25 1 2 3 24.734 49.468 1.84099 608.8 34.0 33.4 5.7 26 2 3 1 25.348 50.697 1.79921 289.0 16.2 15.9 5.8 27 4 1 0 25.755 51.51 1.77269 230.7 12.9 12.6 5.8 28 4 0 2 26.11 52.221 1.75023 240.6 13.4 13.2 5.8 29 0 0 4 26.517 53.035 1.72528 269.5 15.1 14.7 5.8 30 2 3 2 28.018 56.036 1.63977 110.8 6.2 6.0 5.8 31 1 3 3 28.591 57.181 1.60962 52.4 2.9 2.8 5.8 32 5 0 1 29.148 58.296 1.58146 23.7 1.3 1.3 5.8 33 4 2 0 30.116 60.231 1.5352 81.5 4.6 4.4 5.8 34 3 3 1 30.344 60.688 1.52473 79.2 4.4 4.3 5.8 35 2 1 4 30.805 61.611 1.50409 65.8 3.7 3.6 5.8 36 4 2 1 30.931 61.863 1.49856 38.4 2.1 2.1 5.8 37 5 0 2 31.603 63.206 1.46991 186.0 10.4 10.0 5.9 38 1 5 0 31.867 63.733 1.45902 21.7 1.2 1.2 5.9 39 3 0 4 31.964 63.928 1.45503 135.5 7.6 7.3 5.9 40 2 3 3 32.136 64.273 1.44807 111.3 6.2 6.0 5.9 41 1 5 1 32.657 65.315 1.42747 116.8 6.5 6.3 5.9 42 3 3 2 32.746 65.492 1.42402 30.5 1.7 1.6 5.9 43 4 1 3 33.27 66.539 1.40414 27.7 1.5 1.5 5.9 44 2 4 2 33.31 66.62 1.40264 19.4 1.1 1.0 5.9 45 5 1 2 34.974 69.947 1.34383 38.7 2.2 2.1 5.9 46 3 4 1 35.978 71.956 1.31117 72.7 4.1 3.9 5.9 47 2 5 0 36.31 72.621 1.3008 49.9 2.8 2.6 6.0 48 2 5 1 37.055 74.111 1.27829 44.0 2.5 2.3 6.0 49 4 2 3 37.101 74.202 1.27695 57.6 3.2 3.0 6.0 50 6 0 2 37.673 75.346 1.26036 18.8 1.1 1.0 6.0 51 1 2 5 37.726 75.451 1.25888 98.0 5.5 5.2 6.0 52 4 3 2 38.204 76.409 1.24546 34.7 1.9 1.8 6.0 53 1 6 0 38.447 76.893 1.23882 38.1 2.1 2.0 6.0 54 4 1 4 38.537 77.073 1.23638 124.9 7.0 6.6 6.0 55 1 5 3 38.695 77.391 1.2321 63.5 3.6 3.3 6.0 56 1 6 1 39.177 78.355 1.21933 19.3 1.1 1.0 6.0 57 5 2 2 39.26 78.52 1.21718 107.0 6.0 5.6 6.0 58 5 0 4 40.635 81.27 1.18279 18.6 1.0 1.0 6.1 59 4 4 0 41.067 82.134 1.17252 35.7 2.0 1.9 6.1 60 3 4 3 41.831 83.661 1.15496 65.3 3.7 3.4 6.1 61 0 0 6 42.044 84.088 1.15018 30.6 1.7 1.6 6.1 62 4 2 4 42.193 84.386 1.14689 62.9 3.5 3.2 6.1 63 2 5 3 42.865 85.731 1.1323 32.3 1.8 1.7 6.1 64 1 1 6 43.594 87.188 1.11708 60.7 3.4 3.1 6.2 65 1 5 4 43.742 87.485 1.11406 33.8 1.9 1.7 6.2 66 3 2 5 43.985 87.97 1.10916 46.8 2.6 2.4 6.2 67 3 5 2 44.45 88.899 1.09996 123.1 6.9 6.3 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) |