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 *** *********************** FORSTERITE 39, t-olivine, f-olivine, s-forsterite (Mg, Fe)(2)SiO(4) Orthorhombic P nma Z = 4 R =0.017 NR =955 14 .3 .1994 Ref.Str.: Khisina N.R., Belokoneva E.L., Vasiliev D.G., Simonov M.A. (1984) * Dokl. Akad. Nauk SSSR, 276, 873-876 Reserv: In original - olivine[25]. D.T.N. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 10.252 alpha = 90.0 b = 6.012 beta = 90.0 c = 4.773 gamma = 90.0 Unit cell volume (cub. angs.) = 294.18 Molar volume ( cub.cm/mol.) = 44.3 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 Fe = 0.1 , Mg = 0.9 2 0.2222 0.25 0.4895 0.0 Fe = 0.1 , Mg = 1.0 3 0.0943 0.75 0.4266 0.0 Si = 1.00 4 0.4086 0.25 0.2657 0.0 O = 1.00 5 0.4477 0.75 0.2206 0.0 O = 1.00 6 0.1631 0.5336 0.2785 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 0.2222 0.25 0.4895 3 3 0.0943 0.75 0.4266 4 4 0.4086 0.25 0.2657 5 5 0.4477 0.75 0.2206 6 6 0.1631 0.5336 0.2785 7 1 0.5 0.0 0.5 8 2 0.2778 0.75 0.9895 9 3 0.4057 0.25 0.9266 10 4 0.0914 0.75 0.7657 11 5 0.0523 0.25 0.7206 12 6 0.3369 0.4664 0.7785 13 1 0.5 0.5 0.5 14 6 0.3369 0.0336 0.7785 15 1 0.0 0.5 0.0 16 6 0.1631 0.9664 0.2785 17 2 0.7222 0.25 0.0105 18 3 0.5943 0.75 0.0734 19 4 0.9086 0.25 0.2343 20 5 0.9477 0.75 0.2794 21 6 0.6631 0.5336 0.2215 22 2 0.7778 0.75 0.5105 23 3 0.9057 0.25 0.5734 24 4 0.5914 0.75 0.7343 25 5 0.5523 0.25 0.7794 26 6 0.8369 0.4664 0.7215 27 6 0.8369 0.0336 0.7215 28 6 0.6631 0.9664 0.2215 X-ray density (g/cm cub.) = 3.37 MU (1/cm) = 172.541 Mass attenuation coefficient (cm**2/g) = 51.168 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Fe ,Mg 2.592 6 2.0947 4 2.0796 5 2.1456 6 2.0947 4 2.0796 5 2.1456 6 2 Fe ,Mg 2.592 6 2.1893 4 2.0708 6 2.0617 5 2.2312 6 2.2312 6 2.0708 6 3 Si 2.1 4 1.6401 6 1.6188 4 1.6401 6 1.6591 5 4 O 3.264 12 3.0402 5 3.0402 5 3.0406 6 2.8677 6 2.7641 6 2.8677 6 2.7641 6 3.0406 6 3.124 6 2.8604 5 2.7492 5 3.124 6 5 O 3.264 10 3.0402 4 3.0402 4 3.2066 6 2.9411 6 2.9411 6 3.2066 6 2.563 6 2.8604 4 2.7492 4 2.563 6 6 O 3.264 10 3.0406 4 3.2066 5 2.7641 4 2.8677 4 2.9411 5 3.0056 6 3.0056 6 2.602 6 3.124 4 2.563 5 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 2 0 0 8.643 17.285 0.098 85.63 2 25.5 128.6 2 1 0 1 10.254 20.508 0.116 60.2 4 6.3 10.9 3 2 1 0 11.389 22.779 0.128 48.4 4 44.7 447.3 4 0 1 1 11.891 23.783 0.134 44.22 4 28.0 160.8 5 1 1 1 12.67 25.339 0.142 38.71 8 25.8 237.4 6 2 0 1 12.739 25.478 0.143 38.27 4 25.9 118.4 7 2 1 1 14.775 29.551 0.166 27.93 8 14.5 54.2 8 0 2 0 14.848 29.695 0.166 27.64 2 51.0 166.1 9 3 0 1 16.094 32.189 0.18 23.24 4 76.4 627.7 10 2 2 0 17.281 34.562 0.193 19.92 4 18.6 31.9 11 4 0 0 17.49 34.98 0.195 19.4 2 8.5 3.2 12 3 1 1 17.782 35.564 0.198 18.71 8 66.9 773.6 13 1 2 1 18.181 36.361 0.203 17.82 8 74.4 912.8 14 0 0 2 18.83 37.661 0.21 16.5 2 21.3 17.3 15 4 1 0 19.069 38.138 0.212 16.04 4 42.1 131.7 16 1 0 2 19.353 38.707 0.215 15.53 4 35.5 90.2 17 2 2 1 19.759 39.518 0.219 14.83 8 49.6 336.9 18 4 0 1 19.946 39.891 0.221 14.52 4 60.2 242.9 19 1 1 2 20.812 41.624 0.231 13.21 8 36.0 158.1 20 2 0 2 20.857 41.713 0.231 13.15 4 2.0 0.2 21 4 1 1 21.37 42.741 0.237 12.45 8 0.3 0.0 22 3 2 1 22.18 44.359 0.245 11.45 8 18.6 36.5 23 2 1 2 22.234 44.467 0.246 11.39 8 6.4 4.3 24 3 0 2 23.184 46.367 0.256 10.36 4 22.6 24.4 25 4 2 0 23.263 46.526 0.256 10.28 4 19.5 18.1 26 5 0 1 24.134 48.268 0.265 9.46 4 33.0 47.6 27 0 2 2 24.338 48.676 0.268 9.28 4 20.8 18.6 28 2 3 0 24.375 48.749 0.268 9.25 4 5.8 1.5 29 3 1 2 24.457 48.913 0.269 9.18 8 2.8 0.7 30 0 3 1 24.638 49.275 0.271 9.03 4 8.2 2.8 31 1 2 2 24.766 49.532 0.272 8.92 8 10.6 9.3 32 1 3 1 25.062 50.123 0.275 8.68 8 25.5 52.1 33 4 2 1 25.255 50.51 0.277 8.53 8 5.2 2.1 34 5 1 1 25.371 50.742 0.278 8.44 8 23.9 44.5 35 2 2 2 26.018 52.037 0.285 7.97 8 95.4 670.6 36 4 0 2 26.169 52.338 0.286 7.87 4 73.9 198.7 37 2 3 1 26.304 52.608 0.288 7.78 8 23.7 40.5 38 6 0 0 26.796 53.591 0.293 7.45 2 5.2 0.5 39 4 1 2 27.339 54.678 0.298 7.12 8 46.1 139.9 40 6 1 0 27.947 55.895 0.304 6.77 4 66.2 137.1 41 3 2 2 28.017 56.034 0.305 6.74 8 19.7 24.2 42 3 3 1 28.289 56.577 0.308 6.59 8 56.7 195.5 43 6 0 1 28.609 57.217 0.311 6.42 4 17.9 9.5 44 5 2 1 28.851 57.702 0.313 6.3 8 30.2 53.3 45 4 3 0 29.204 58.408 0.317 6.13 4 58.0 95.3 46 1 0 3 29.337 58.674 0.318 6.07 4 33.6 31.7 47 5 0 2 29.689 59.377 0.321 5.91 4 7.0 1.3 48 6 1 1 29.714 59.428 0.322 5.9 8 2.8 0.4 49 0 1 3 30.054 60.108 0.325 5.75 4 21.5 12.3 50 1 1 3 30.426 60.851 0.329 5.59 8 28.3 41.3 51 2 0 3 30.46 60.919 0.329 5.58 4 30.1 23.4 52 1 3 2 30.498 60.996 0.329 5.57 8 25.2 32.7 53 4 2 2 30.668 61.336 0.331 5.5 8 28.0 39.7 54 5 1 2 30.77 61.539 0.332 5.46 8 31.4 49.7 55 0 4 0 30.83 61.66 0.333 5.43 2 148.8 278.1 56 4 3 1 30.925 61.85 0.334 5.4 8 11.4 6.5 57 6 2 0 31.235 62.47 0.337 5.28 4 125.0 380.9 58 2 1 3 31.525 63.05 0.339 5.17 8 16.6 13.2 59 2 3 2 31.596 63.192 0.34 5.15 8 16.0 12.2 60 3 0 3 32.279 64.559 0.347 4.91 4 39.0 34.5 61 2 4 0 32.281 64.562 0.347 4.91 4 19.5 8.6 62 1 4 1 32.856 65.712 0.352 4.73 8 1.8 0.1 63 6 2 1 32.893 65.787 0.353 4.72 8 8.9 3.5 64 3 1 3 33.312 66.624 0.356 4.59 8 43.9 82.0 65 7 0 1 33.377 66.754 0.357 4.57 4 74.4 117.0 66 3 3 2 33.381 66.762 0.357 4.57 8 5.1 1.1 67 1 2 3 33.567 67.134 0.359 4.52 8 43.9 80.6 68 6 0 2 33.672 67.344 0.36 4.49 4 11.3 2.6 69 5 2 2 33.893 67.787 0.362 4.43 8 11.0 5.0 70 2 4 1 33.912 67.824 0.362 4.42 8 8.9 3.3 71 5 3 1 34.137 68.274 0.364 4.36 8 16.3 10.7 72 7 1 1 34.393 68.786 0.367 4.3 8 12.5 6.2 73 2 2 3 34.612 69.224 0.369 4.24 8 67.8 179.9 74 6 1 2 34.684 69.368 0.369 4.22 8 19.4 14.7 75 4 0 3 34.739 69.479 0.37 4.21 4 56.4 61.9 76 3 4 1 35.638 71.277 0.378 4.0 8 52.3 101.2 77 4 1 3 35.737 71.475 0.379 3.98 8 34.8 44.4 78 4 3 2 35.804 71.608 0.38 3.96 8 23.7 20.5 79 3 2 3 36.323 72.647 0.384 3.85 8 4.1 0.6 80 6 3 0 36.329 72.659 0.385 3.85 4 53.2 50.4 81 4 4 0 36.45 72.899 0.386 3.83 4 16.1 4.6 82 8 0 0 36.947 73.894 0.39 3.73 2 13.8 1.6 83 0 4 2 37.277 74.553 0.393 3.67 4 38.0 24.4 84 7 2 1 37.365 74.731 0.394 3.65 8 18.6 11.6 85 1 4 2 37.612 75.223 0.396 3.61 8 22.2 16.4 86 6 2 2 37.647 75.294 0.396 3.6 8 23.0 17.7 87 5 0 3 37.793 75.585 0.398 3.58 4 18.4 5.6 88 6 3 1 37.88 75.761 0.399 3.56 8 18.4 11.2 89 8 1 0 37.921 75.843 0.399 3.56 4 13.0 2.8 90 4 4 1 37.999 75.998 0.4 3.54 8 25.9 21.9 91 7 0 2 38.104 76.207 0.401 3.53 4 19.9 6.5 92 0 3 3 38.183 76.366 0.401 3.51 4 37.0 22.2 93 8 0 1 38.489 76.978 0.404 3.47 4 13.3 2.9 94 1 3 3 38.515 77.031 0.404 3.46 8 16.1 8.2 95 2 4 2 38.611 77.222 0.405 3.45 8 0.7 0.0 96 4 2 3 38.668 77.336 0.406 3.44 8 19.6 12.2 97 5 1 3 38.76 77.519 0.406 3.42 8 8.5 2.3 98 5 3 2 38.824 77.649 0.407 3.42 8 30.8 30.0 99 7 1 2 39.068 78.136 0.409 3.38 8 12.1 4.6 100 8 1 1 39.451 78.902 0.412 3.33 8 10.4 3.3 101 2 3 3 39.507 79.015 0.413 3.32 8 7.5 1.7 102 0 0 4 40.206 80.411 0.419 3.23 2 84.4 53.1 103 3 4 2 40.259 80.519 0.419 3.22 8 18.5 10.2 104 1 0 4 40.533 81.066 0.422 3.19 4 10.3 1.6 105 8 2 0 40.8 81.6 0.424 3.16 4 25.1 9.2 106 5 4 1 40.966 81.932 0.426 3.14 8 27.7 22.3 107 3 3 3 41.147 82.293 0.427 3.12 8 38.7 43.1 108 2 5 0 41.148 82.296 0.427 3.12 4 37.7 20.6 109 0 5 1 41.348 82.696 0.429 3.1 4 30.1 13.0 110 6 0 3 41.417 82.834 0.429 3.09 4 1.8 0.0 111 1 1 4 41.483 82.966 0.43 3.09 8 9.2 2.4 112 2 0 4 41.513 83.026 0.43 3.08 4 0.2 0.0 113 5 2 3 41.623 83.246 0.431 3.07 8 44.2 55.4 114 1 5 1 41.674 83.348 0.432 3.07 8 12.3 4.3 115 7 2 2 41.926 83.852 0.434 3.05 8 30.8 26.6 116 7 3 1 42.153 84.307 0.436 3.02 8 14.3 5.7 117 8 2 1 42.303 84.606 0.437 3.01 8 27.6 21.2 118 6 1 3 42.363 84.726 0.437 3.01 8 33.2 30.6 119 6 3 2 42.427 84.853 0.438 3.0 8 20.2 11.4 120 2 1 4 42.459 84.918 0.438 3.0 8 9.1 2.3 121 4 4 2 42.542 85.084 0.439 2.99 8 47.6 62.7 122 2 5 1 42.649 85.298 0.44 2.98 8 1.9 0.1 123 8 0 2 43.02 86.04 0.443 2.95 4 48.0 31.4 124 6 4 0 43.043 86.087 0.443 2.95 4 14.5 2.9 125 3 0 4 43.138 86.275 0.444 2.94 4 21.2 6.1 126 4 3 3 43.422 86.843 0.446 2.92 8 39.5 42.3 127 8 1 2 43.962 87.924 0.451 2.89 8 21.6 12.4 128 0 2 4 43.99 87.98 0.451 2.89 4 3.0 0.1 129 9 0 1 44.043 88.087 0.451 2.88 4 10.8 1.6 130 3 1 4 44.079 88.159 0.452 2.88 8 2.3 0.1 131 3 5 1 44.269 88.538 0.453 2.87 8 45.8 55.6 132 1 2 4 44.313 88.627 0.453 2.87 8 33.0 28.9 133 6 4 1 44.537 89.074 0.455 2.85 8 11.7 3.6 134 9 1 1 44.984 89.968 0.459 2.83 8 19.4 9.8 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 2 0 0 8.643 17.285 5.126 128.6 14.1 14.3 5.6 2 1 0 1 10.254 20.508 4.32703 10.9 1.2 1.2 5.6 3 2 1 0 11.389 22.779 3.90064 447.3 49.0 49.6 5.6 4 0 1 1 11.891 23.783 3.73816 160.8 17.6 17.8 5.6 5 1 1 1 12.67 25.339 3.51198 237.4 26.0 26.3 5.6 6 2 0 1 12.739 25.478 3.49315 118.4 13.0 13.1 5.6 7 2 1 1 14.775 29.551 3.02034 54.2 5.9 6.0 5.6 8 0 2 0 14.848 29.695 3.006 166.1 18.2 18.3 5.6 9 3 0 1 16.094 32.189 2.77858 627.7 68.8 69.0 5.6 10 2 2 0 17.281 34.562 2.59303 31.9 3.5 3.5 5.7 11 3 1 1 17.782 35.564 2.52223 773.6 84.7 84.8 5.7 12 1 2 1 18.181 36.361 2.46874 912.8 100.0 100.0 5.7 13 0 0 2 18.83 37.661 2.3865 17.3 1.9 1.9 5.7 14 4 1 0 19.069 38.138 2.35769 131.7 14.4 14.4 5.7 15 1 0 2 19.353 38.707 2.32435 90.2 9.9 9.9 5.7 16 2 2 1 19.759 39.518 2.2785 336.9 36.9 36.8 5.7 17 4 0 1 19.946 39.891 2.25804 242.9 26.6 26.5 5.7 18 1 1 2 20.812 41.624 2.16797 158.1 17.3 17.2 5.7 19 3 2 1 22.18 44.359 2.04042 36.5 4.0 4.0 5.7 20 3 0 2 23.184 46.367 1.95661 24.4 2.7 2.6 5.7 21 4 2 0 23.263 46.526 1.95032 18.1 2.0 2.0 5.7 22 5 0 1 24.134 48.268 1.88392 47.6 5.2 5.1 5.7 23 0 2 2 24.338 48.676 1.86908 18.6 2.0 2.0 5.7 24 1 2 2 24.766 49.532 1.83877 9.3 1.0 1.0 5.7 25 1 3 1 25.062 50.123 1.81844 52.1 5.7 5.6 5.7 26 5 1 1 25.371 50.742 1.79773 44.5 4.9 4.8 5.8 27 2 2 2 26.018 52.037 1.75599 670.6 73.5 72.2 5.8 28 4 0 2 26.169 52.338 1.74658 198.7 21.8 21.4 5.8 29 2 3 1 26.304 52.608 1.73826 40.5 4.4 4.4 5.8 30 4 1 2 27.339 54.678 1.67723 139.9 15.3 15.0 5.8 31 6 1 0 27.947 55.895 1.64358 137.1 15.0 14.7 5.8 32 3 2 2 28.017 56.034 1.63983 24.2 2.7 2.6 5.8 33 3 3 1 28.289 56.577 1.62537 195.5 21.4 20.9 5.8 34 6 0 1 28.609 57.217 1.60869 9.5 1.0 1.0 5.8 35 5 2 1 28.851 57.702 1.59633 53.3 5.8 5.7 5.8 36 4 3 0 29.204 58.408 1.57871 95.3 10.4 10.2 5.8 37 1 0 3 29.337 58.674 1.57218 31.7 3.5 3.4 5.8 38 0 1 3 30.054 60.108 1.53805 12.3 1.3 1.3 5.8 39 1 1 3 30.426 60.851 1.52103 41.3 4.5 4.4 5.8 40 2 0 3 30.46 60.919 1.51949 23.4 2.6 2.5 5.8 41 1 3 2 30.498 60.996 1.51777 32.7 3.6 3.5 5.8 42 4 2 2 30.668 61.336 1.51017 39.7 4.4 4.2 5.8 43 5 1 2 30.77 61.539 1.50566 49.7 5.4 5.3 5.8 44 0 4 0 30.83 61.66 1.503 278.1 30.5 29.6 5.8 45 6 2 0 31.235 62.47 1.48546 380.9 41.7 40.4 5.8 46 2 1 3 31.525 63.05 1.47317 13.2 1.4 1.4 5.9 47 2 3 2 31.596 63.192 1.4702 12.2 1.3 1.3 5.9 48 3 0 3 32.279 64.559 1.44234 43.1 4.7 4.6 5.9 49 3 1 3 33.312 66.624 1.40255 82.0 9.0 8.6 5.9 50 7 0 1 33.377 66.754 1.40014 118.1 12.9 12.5 5.9 51 1 2 3 33.567 67.134 1.39314 80.6 8.8 8.5 5.9 52 5 3 1 34.137 68.274 1.37262 10.7 1.2 1.1 5.9 53 2 2 3 34.612 69.224 1.35609 179.9 19.7 18.9 5.9 54 6 1 2 34.684 69.368 1.35362 14.7 1.6 1.5 5.9 55 4 0 3 34.739 69.479 1.35174 61.9 6.8 6.5 5.9 56 3 4 1 35.638 71.277 1.32199 101.2 11.1 10.6 5.9 57 4 1 3 35.737 71.475 1.31881 44.4 4.9 4.6 5.9 58 4 3 2 35.804 71.608 1.31668 20.5 2.3 2.1 5.9 59 6 3 0 36.329 72.659 1.30021 50.4 5.5 5.3 6.0 60 0 4 2 37.277 74.553 1.27179 24.4 2.7 2.5 6.0 61 7 2 1 37.365 74.731 1.26921 11.6 1.3 1.2 6.0 62 1 4 2 37.612 75.223 1.26212 16.4 1.8 1.7 6.0 63 6 2 2 37.647 75.294 1.26111 17.7 1.9 1.8 6.0 64 6 3 1 37.88 75.761 1.2545 11.2 1.2 1.2 6.0 65 4 4 1 37.999 75.998 1.25118 21.9 2.4 2.3 6.0 66 0 3 3 38.183 76.366 1.24605 22.2 2.4 2.3 6.0 67 1 3 3 38.515 77.031 1.23695 11.1 1.2 1.1 6.0 68 4 2 3 38.668 77.336 1.23283 12.2 1.3 1.3 6.0 69 5 3 2 38.824 77.649 1.22864 30.0 3.3 3.1 6.0 70 0 0 4 40.206 80.411 1.19325 53.1 5.8 5.5 6.0 71 3 4 2 40.259 80.519 1.19193 10.2 1.1 1.0 6.1 72 8 2 0 40.8 81.6 1.17885 9.2 1.0 0.9 6.1 73 5 4 1 40.966 81.932 1.1749 22.3 2.4 2.3 6.1 74 3 3 3 41.147 82.293 1.17066 63.7 7.0 6.5 6.1 75 0 5 1 41.348 82.696 1.16597 13.0 1.4 1.3 6.1 76 5 2 3 41.623 83.246 1.15967 55.4 6.1 5.6 6.1 77 7 2 2 41.926 83.852 1.15281 26.6 2.9 2.7 6.1 78 8 2 1 42.303 84.606 1.14446 21.2 2.3 2.2 6.1 79 6 1 3 42.363 84.726 1.14314 30.6 3.3 3.1 6.1 80 6 3 2 42.427 84.853 1.14176 11.4 1.2 1.2 6.1 81 4 4 2 42.542 85.084 1.13925 62.7 6.9 6.4 6.1 82 8 0 2 43.02 86.04 1.12902 34.3 3.8 3.5 6.1 83 4 3 3 43.422 86.843 1.12063 42.3 4.6 4.3 6.1 84 8 1 2 43.962 87.924 1.10962 12.6 1.4 1.3 6.2 85 3 5 1 44.269 88.538 1.10351 55.6 6.1 5.6 6.2 86 1 2 4 44.313 88.627 1.10263 28.9 3.2 2.9 6.2 87 9 1 1 44.984 89.968 1.08964 9.8 1.1 1.0 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) |