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 7, t-olivine, at 79 kbar, f-olivine, s-forsterite Mg(2)SiO(4) Orthorhombic P bnm Z = 4 R =0.033 NR =114 27 .9 .1991 Ref.Str.: Kudoh Y., Takeuchi Y. (1985) * Z. Kristallogr., 171, 291-302 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 4.688 alpha = 90.0 b = 9.993 beta = 90.0 c = 5.861 gamma = 90.0 Unit cell volume (cub. angs.) = 274.57 Molar volume ( cub.cm/mol.) = 41.35 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 0.38 Mg = 1.00 2 0.9929 0.2762 0.25 0.14 Mg = 1.00 3 0.4261 0.0945 0.25 0.01 Si = 1.00 4 0.767 0.0919 0.25 0.48 O = 1.00 5 0.2224 0.4479 0.25 0.44 O = 1.00 6 0.2777 0.1637 0.0336 0.12 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 0.9929 0.2762 0.25 3 3 0.4261 0.0945 0.25 4 4 0.767 0.0919 0.25 5 5 0.2224 0.4479 0.25 6 6 0.2777 0.1637 0.0336 7 2 0.0071 0.7238 0.75 8 3 0.5739 0.9055 0.75 9 4 0.233 0.9081 0.75 10 5 0.7776 0.5521 0.75 11 6 0.7223 0.8363 0.9664 12 1 0.0 0.0 0.5 13 6 0.7223 0.8363 0.5336 14 6 0.2777 0.1637 0.4664 15 1 0.5 0.5 0.0 16 2 0.5071 0.7762 0.25 17 3 0.0739 0.5945 0.25 18 4 0.733 0.5919 0.25 19 5 0.2776 0.9479 0.25 20 6 0.2223 0.6637 0.0336 21 2 0.4929 0.2238 0.75 22 3 0.9261 0.4055 0.75 23 4 0.267 0.4081 0.75 24 5 0.7224 0.0521 0.75 25 6 0.7777 0.3363 0.9664 26 1 0.5 0.5 0.5 27 6 0.7777 0.3363 0.5336 28 6 0.2223 0.6637 0.4664 X-ray density (g/cm cub.) = 3.4 MU (1/cm) = 104.334 Mass attenuation coefficient (cm**2/g) = 30.665 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Mg 2.52 6 2.0454 4 2.0999 6 2.0454 4 2.0999 6 2.0277 5 2.0277 5 2 Mg 2.52 6 2.1245 4 2.0252 5 2.1576 6 2.1576 6 2.035 6 2.035 6 3 Si 2.1 4 1.5984 4 1.6034 6 1.6034 6 1.622 5 4 O 3.264 12 2.8028 6 2.7176 6 3.0546 6 3.0546 6 2.8028 6 2.7176 6 2.7929 5 2.7082 5 2.9647 5 2.9647 5 2.9547 6 2.9547 6 5 O 3.264 10 3.1211 6 3.1211 6 2.7929 4 2.7082 4 2.5018 6 2.9647 4 2.9647 4 2.8901 6 2.8901 6 2.5018 6 6 O 3.264 10 2.7176 4 2.8028 4 3.1211 5 3.0546 4 2.5366 6 2.5018 5 2.9547 4 2.8901 5 2.9367 6 2.9367 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 0 2 0 8.868 17.737 0.1 81.22 2 28.2 171.9 2 1 1 0 10.457 20.913 0.118 57.81 4 8.2 20.4 3 0 2 1 11.688 23.376 0.131 45.85 4 48.1 563.7 4 1 0 1 12.146 24.292 0.137 42.3 4 29.5 195.1 5 1 1 1 12.949 25.897 0.145 36.97 8 17.3 118.0 6 1 2 0 13.021 26.042 0.146 36.54 4 25.4 125.2 7 1 2 1 15.12 30.24 0.169 26.59 8 13.2 49.0 8 0 0 2 15.239 30.478 0.171 26.14 2 46.2 148.3 9 1 3 0 16.48 32.959 0.184 22.08 4 66.4 517.1 10 0 2 2 17.742 35.483 0.198 18.8 4 7.7 5.9 11 0 4 0 17.958 35.917 0.2 18.31 2 0.2 0.0 12 1 3 1 18.218 36.437 0.203 17.74 8 60.2 681.3 13 1 1 2 18.628 37.256 0.207 16.9 8 67.4 815.5 14 2 0 0 19.185 38.37 0.213 15.83 2 10.4 4.5 15 0 4 1 19.583 39.166 0.218 15.13 4 35.6 101.5 16 2 1 0 19.727 39.454 0.219 14.88 4 32.8 84.9 17 1 2 2 20.255 40.51 0.225 14.03 8 48.0 342.7 18 1 4 0 20.449 40.898 0.227 13.74 4 57.4 240.4 19 2 1 1 21.237 42.473 0.235 12.63 8 35.7 170.9 20 2 2 0 21.283 42.567 0.236 12.56 4 5.0 1.6 21 1 4 1 21.918 43.836 0.242 11.76 8 0.2 0.0 22 2 2 1 22.708 45.417 0.251 10.86 8 3.0 1.1 23 1 3 2 22.751 45.503 0.251 10.81 8 18.1 37.6 24 2 3 0 23.692 47.385 0.261 9.86 4 24.9 32.5 25 0 4 2 23.901 47.802 0.263 9.67 4 20.4 21.4 26 1 5 0 24.77 49.539 0.272 8.92 4 34.8 57.2 27 2 0 2 24.886 49.771 0.273 8.82 4 18.8 16.5 28 2 3 1 25.01 50.02 0.274 8.72 8 4.4 1.8 29 0 2 3 25.046 50.092 0.275 8.69 4 9.1 3.8 30 1 0 3 25.286 50.573 0.277 8.51 4 6.4 1.8 31 2 1 2 25.329 50.657 0.278 8.47 8 9.1 7.5 32 1 1 3 25.724 51.448 0.282 8.18 8 18.2 28.8 33 1 4 2 25.926 51.852 0.284 8.04 8 7.2 4.5 34 1 5 1 26.047 52.093 0.285 7.95 8 20.2 34.3 35 2 2 2 26.626 53.251 0.291 7.56 8 83.4 558.5 36 2 4 0 26.783 53.567 0.293 7.46 4 63.7 160.7 37 1 2 3 27.008 54.015 0.295 7.32 8 22.3 38.5 38 0 6 0 27.548 55.096 0.3 7.0 2 6.7 0.8 39 2 4 1 27.995 55.99 0.305 6.75 8 40.4 117.1 40 2 3 2 28.696 57.392 0.312 6.38 8 22.2 33.3 41 0 6 1 28.738 57.476 0.312 6.36 4 57.9 113.3 42 1 3 3 29.06 58.119 0.315 6.2 8 51.0 170.9 43 1 6 0 29.394 58.788 0.319 6.04 4 17.3 9.5 44 1 5 2 29.643 59.287 0.321 5.93 8 19.9 24.8 45 3 1 0 29.928 59.857 0.324 5.8 4 29.5 26.8 46 0 4 3 30.034 60.069 0.325 5.76 4 51.9 82.2 47 2 5 0 30.43 60.86 0.329 5.59 4 7.1 1.5 48 1 6 1 30.538 61.075 0.33 5.55 8 1.5 0.1 49 3 0 1 30.674 61.347 0.331 5.49 4 24.0 16.8 50 3 1 1 31.06 62.12 0.335 5.34 8 22.4 28.5 51 3 2 0 31.096 62.192 0.335 5.33 4 28.0 22.2 52 2 1 3 31.267 62.533 0.337 5.27 8 25.0 35.0 53 2 4 2 31.445 62.889 0.339 5.2 8 27.3 41.3 54 2 5 1 31.551 63.103 0.34 5.16 8 29.5 47.8 55 0 0 4 31.715 63.431 0.341 5.1 2 134.0 243.1 56 1 4 3 31.789 63.579 0.342 5.08 8 10.7 6.2 57 0 6 2 32.138 64.277 0.345 4.96 4 115.2 349.4 58 3 2 1 32.204 64.407 0.346 4.94 8 13.5 9.5 59 2 2 3 32.406 64.812 0.348 4.87 8 18.4 17.4 60 3 3 0 32.989 65.977 0.353 4.69 4 31.1 24.1 61 0 2 4 33.219 66.438 0.356 4.62 4 19.7 9.5 62 1 1 4 33.79 67.579 0.361 4.46 8 4.1 0.8 63 1 6 2 33.832 67.665 0.361 4.44 8 9.7 4.5 64 3 3 1 34.063 68.127 0.364 4.38 8 37.9 66.8 65 2 3 3 34.26 68.521 0.365 4.33 8 3.2 0.5 66 3 1 2 34.327 68.655 0.366 4.31 8 38.3 67.2 67 1 7 0 34.335 68.671 0.366 4.31 4 62.7 89.8 68 2 6 0 34.566 69.132 0.368 4.25 4 14.3 4.6 69 2 5 2 34.794 69.589 0.37 4.19 8 9.7 4.2 70 1 2 4 34.886 69.772 0.371 4.17 8 9.5 4.0 71 1 5 3 35.122 70.244 0.373 4.12 8 13.2 7.6 72 1 7 1 35.39 70.781 0.376 4.05 8 12.6 6.8 73 3 2 2 35.416 70.832 0.376 4.05 8 64.3 177.8 74 3 4 0 35.55 71.1 0.377 4.02 4 56.0 66.9 75 2 6 1 35.618 71.236 0.378 4.0 8 14.2 8.6 76 3 4 1 36.59 73.18 0.387 3.8 8 31.9 40.9 77 1 3 4 36.681 73.361 0.388 3.78 8 43.9 77.4 78 2 4 3 36.781 73.562 0.389 3.76 8 19.0 14.3 79 3 3 2 37.2 74.4 0.392 3.68 8 3.6 0.5 80 0 6 3 37.426 74.853 0.394 3.64 4 46.1 41.0 81 0 4 4 37.549 75.099 0.396 3.62 4 8.6 1.4 82 0 8 0 38.072 76.145 0.4 3.53 2 11.6 1.3 83 2 0 4 38.313 76.626 0.402 3.49 4 29.8 16.5 84 1 7 2 38.483 76.965 0.404 3.47 8 15.6 9.0 85 2 1 4 38.663 77.325 0.406 3.44 8 20.1 14.7 86 2 6 2 38.703 77.406 0.406 3.43 8 18.9 13.0 87 3 5 0 38.735 77.469 0.406 3.43 4 18.9 6.5 88 1 6 3 39.018 78.036 0.409 3.39 8 18.8 12.7 89 0 8 1 39.087 78.175 0.409 3.38 4 17.7 5.6 90 1 4 4 39.139 78.278 0.41 3.37 8 22.7 18.5 91 3 0 3 39.14 78.279 0.41 3.37 4 38.5 26.5 92 2 7 0 39.181 78.361 0.41 3.36 4 19.2 6.6 93 3 1 3 39.487 78.974 0.413 3.32 8 11.3 4.5 94 3 4 2 39.648 79.296 0.414 3.3 8 19.7 13.6 95 1 8 0 39.656 79.311 0.414 3.3 4 12.3 2.7 96 2 2 4 39.705 79.411 0.415 3.29 8 1.3 0.1 97 3 5 1 39.745 79.489 0.415 3.29 8 6.9 1.7 98 2 5 3 39.931 79.861 0.417 3.26 8 29.0 29.1 99 2 7 1 40.188 80.375 0.419 3.23 8 13.2 6.0 100 3 2 3 40.524 81.048 0.422 3.19 8 5.0 0.8 101 1 8 1 40.66 81.319 0.423 3.18 8 9.6 3.1 102 4 0 0 41.089 82.179 0.427 3.13 2 72.3 43.4 103 2 3 4 41.428 82.857 0.43 3.09 8 20.1 13.3 104 4 1 0 41.433 82.865 0.43 3.09 4 7.2 0.8 105 0 8 2 42.093 84.186 0.435 3.03 4 17.8 5.1 106 1 5 4 42.24 84.479 0.436 3.02 8 28.2 25.5 107 3 3 3 42.24 84.48 0.436 3.02 8 32.8 34.4 108 4 1 1 42.428 84.856 0.438 3.0 8 10.7 3.7 109 0 2 5 42.451 84.903 0.438 3.0 4 38.5 23.6 110 4 2 0 42.46 84.92 0.438 3.0 4 0.3 0.0 111 3 6 0 42.526 85.052 0.439 2.99 4 1.7 0.0 112 1 0 5 42.637 85.274 0.44 2.98 4 30.1 14.3 113 3 5 2 42.741 85.481 0.441 2.97 8 34.9 38.5 114 1 1 5 42.979 85.957 0.443 2.96 8 6.7 1.4 115 2 7 2 43.178 86.356 0.444 2.94 8 29.4 26.9 116 4 2 1 43.452 86.904 0.446 2.92 8 8.0 2.0 117 1 7 3 43.486 86.972 0.447 2.92 8 14.3 6.3 118 3 6 1 43.518 87.036 0.447 2.92 8 32.9 33.4 119 1 8 2 43.645 87.289 0.448 2.91 8 26.2 21.2 120 2 6 3 43.701 87.402 0.448 2.9 8 15.3 7.2 121 2 4 4 43.82 87.64 0.449 2.9 8 38.4 45.4 122 1 2 5 44.001 88.003 0.451 2.88 8 1.0 0.0 123 4 3 0 44.165 88.331 0.452 2.87 4 23.1 8.1 124 2 8 0 44.327 88.654 0.454 2.86 4 43.3 28.5 125 0 6 4 44.442 88.884 0.454 2.86 4 15.5 3.7 126 3 4 3 44.627 89.255 0.456 2.85 8 36.2 39.5 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 0 2 0 8.868 17.737 4.9965 171.9 21.1 21.4 5.6 2 1 1 0 10.457 20.913 4.24417 20.4 2.5 2.5 5.6 3 0 2 1 11.688 23.376 3.80234 563.7 69.1 69.9 5.6 4 1 0 1 12.146 24.292 3.66096 195.1 23.9 24.2 5.6 5 1 1 1 12.949 25.897 3.43754 118.0 14.5 14.6 5.6 6 1 2 0 13.021 26.042 3.41878 125.2 15.4 15.5 5.6 7 1 2 1 15.12 30.24 2.9531 49.0 6.0 6.1 5.6 8 0 0 2 15.239 30.478 2.9305 148.3 18.2 18.3 5.6 9 1 3 0 16.48 32.959 2.71535 517.1 63.4 63.7 5.6 10 1 3 1 18.218 36.437 2.46378 681.3 83.5 83.6 5.7 11 1 1 2 18.628 37.256 2.4115 815.5 100.0 100.0 5.7 12 0 4 1 19.583 39.166 2.29818 101.5 12.4 12.4 5.7 13 2 1 0 19.727 39.454 2.28206 84.9 10.4 10.4 5.7 14 1 2 2 20.255 40.51 2.22496 342.7 42.0 41.9 5.7 15 1 4 0 20.449 40.898 2.20473 240.4 29.5 29.4 5.7 16 2 1 1 21.237 42.473 2.12655 170.9 21.0 20.8 5.7 17 1 3 2 22.751 45.503 1.99177 37.6 4.6 4.6 5.7 18 2 3 0 23.692 47.385 1.91695 32.5 4.0 3.9 5.7 19 0 4 2 23.901 47.802 1.90117 21.4 2.6 2.6 5.7 20 1 5 0 24.77 49.539 1.8385 57.2 7.0 6.9 5.7 21 2 0 2 24.886 49.771 1.83048 16.5 2.0 2.0 5.7 22 1 1 3 25.724 51.448 1.77467 28.8 3.5 3.5 5.8 23 1 5 1 26.047 52.093 1.75422 34.3 4.2 4.1 5.8 24 2 2 2 26.626 53.251 1.71877 558.5 68.5 67.3 5.8 25 2 4 0 26.783 53.567 1.70939 160.7 19.7 19.4 5.8 26 1 2 3 27.008 54.015 1.69624 38.5 4.7 4.6 5.8 27 2 4 1 27.995 55.99 1.64102 117.1 14.4 14.1 5.8 28 2 3 2 28.696 57.392 1.60421 33.3 4.1 4.0 5.8 29 0 6 1 28.738 57.476 1.60207 113.3 13.9 13.6 5.8 30 1 3 3 29.06 58.119 1.58585 170.9 21.0 20.5 5.8 31 1 6 0 29.394 58.788 1.5694 9.5 1.2 1.1 5.8 32 1 5 2 29.643 59.287 1.55738 24.8 3.0 3.0 5.8 33 3 1 0 29.928 59.857 1.5439 26.8 3.3 3.2 5.8 34 0 4 3 30.034 60.069 1.53897 82.2 10.1 9.8 5.8 35 3 0 1 30.674 61.347 1.50992 16.8 2.1 2.0 5.8 36 3 1 1 31.06 62.12 1.49297 28.5 3.5 3.4 5.8 37 3 2 0 31.096 62.192 1.49143 22.2 2.7 2.6 5.8 38 2 1 3 31.267 62.533 1.4841 35.0 4.3 4.2 5.8 39 2 4 2 31.445 62.889 1.47655 41.3 5.1 4.9 5.9 40 2 5 1 31.551 63.103 1.47207 47.8 5.9 5.7 5.9 41 0 0 4 31.715 63.431 1.46525 243.1 29.8 28.9 5.9 42 0 6 2 32.138 64.277 1.44799 349.4 42.8 41.4 5.9 43 3 2 1 32.204 64.407 1.44536 9.5 1.2 1.1 5.9 44 2 2 3 32.406 64.812 1.43731 17.4 2.1 2.1 5.9 45 3 3 0 32.989 65.977 1.41472 24.1 3.0 2.8 5.9 46 0 2 4 33.219 66.438 1.40604 9.5 1.2 1.1 5.9 47 3 3 1 34.063 68.127 1.37523 66.8 8.2 7.9 5.9 48 1 7 0 34.335 68.671 1.36566 157.0 19.3 18.5 5.9 49 3 2 2 35.416 70.832 1.32919 184.6 22.6 21.6 5.9 50 3 4 0 35.55 71.1 1.32484 66.9 8.2 7.8 5.9 51 2 6 1 35.618 71.236 1.32265 8.6 1.1 1.0 5.9 52 3 4 1 36.59 73.18 1.29224 40.9 5.0 4.8 6.0 53 1 3 4 36.681 73.361 1.28949 77.4 9.5 9.0 6.0 54 2 4 3 36.781 73.562 1.28647 14.3 1.8 1.7 6.0 55 0 6 3 37.426 74.853 1.26745 41.0 5.0 4.8 6.0 56 2 0 4 38.313 76.626 1.24247 16.5 2.0 1.9 6.0 57 1 7 2 38.483 76.965 1.23784 9.0 1.1 1.0 6.0 58 2 1 4 38.663 77.325 1.23298 14.7 1.8 1.7 6.0 59 2 6 2 38.703 77.406 1.23189 13.0 1.6 1.5 6.0 60 1 6 3 39.018 78.036 1.22352 12.7 1.6 1.5 6.0 61 3 0 3 39.14 78.279 1.22032 45.0 5.5 5.2 6.0 62 3 4 2 39.648 79.296 1.2072 16.3 2.0 1.9 6.0 63 2 5 3 39.931 79.861 1.20008 29.1 3.6 3.3 6.0 64 4 0 0 41.089 82.179 1.172 43.4 5.3 5.0 6.1 65 2 3 4 41.428 82.857 1.16412 14.1 1.7 1.6 6.1 66 3 3 3 42.24 84.48 1.14585 59.9 7.3 6.8 6.1 67 0 2 5 42.451 84.903 1.14121 27.2 3.3 3.1 6.1 68 1 0 5 42.637 85.274 1.13719 14.3 1.8 1.6 6.1 69 3 5 2 42.741 85.481 1.13497 38.5 4.7 4.4 6.1 70 2 7 2 43.178 86.356 1.1257 26.9 3.3 3.1 6.1 71 3 6 1 43.518 87.036 1.11864 33.4 4.1 3.8 6.1 72 1 8 2 43.645 87.289 1.11605 21.2 2.6 2.4 6.2 73 2 4 4 43.82 87.64 1.11248 45.4 5.6 5.1 6.2 74 2 8 0 44.327 88.654 1.10237 28.5 3.5 3.2 6.2 75 3 4 3 44.627 89.255 1.0965 39.5 4.8 4.4 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) |