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 23, t-olivine, f-olivine, s-forsterite (Fe,Mg,Mn,Ca)(2)SiO(4) Orthorhombic P bnm Z = 4 R =0.08 NR =924 26 .10 .1989 Ref.Str.: J.D. Birle, G.V. Gibbs, P.B. Moore (1968) * Amer. Mineral., 53, 807-824 Reserv: In original - hyalosiderite[1]. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 4.785 alpha = 90.0 b = 10.325 beta = 90.0 c = 6.038 gamma = 90.0 Unit cell volume (cub. angs.) = 298.31 Molar volume ( cub.cm/mol.) = 44.92 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 0.32 Mg = 0.54, Fe = 0.46, Mn = 0.01 2 0.986 0.2788 0.25 0.37 Mg = 0.54, Fe = 0.46, Mn = 0.01 3 0.4284 0.0959 0.25 0.19 Si = 1.00 4 0.7657 0.0943 0.25 0.4 O = 1.00 5 0.2164 0.4508 0.25 0.56 O = 1.00 6 0.2826 0.1637 0.0344 0.5 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 0.986 0.2788 0.25 3 3 0.4284 0.0959 0.25 4 4 0.7657 0.0943 0.25 5 5 0.2164 0.4508 0.25 6 6 0.2826 0.1637 0.0344 7 2 0.014 0.7212 0.75 8 3 0.5716 0.9041 0.75 9 4 0.2343 0.9057 0.75 10 5 0.7836 0.5492 0.75 11 6 0.7174 0.8363 0.9656 12 1 0.0 0.0 0.5 13 6 0.7174 0.8363 0.5343 14 6 0.2826 0.1637 0.4656 15 1 0.5 0.5 0.0 16 2 0.514 0.7788 0.25 17 3 0.0716 0.5959 0.25 18 4 0.7343 0.5943 0.25 19 5 0.2836 0.9508 0.25 20 6 0.2174 0.6637 0.0344 21 2 0.486 0.2212 0.75 22 3 0.9284 0.4041 0.75 23 4 0.2657 0.4057 0.75 24 5 0.7164 0.0492 0.75 25 6 0.7826 0.3363 0.9656 26 1 0.5 0.5 0.5 27 6 0.7826 0.3363 0.5343 28 6 0.2174 0.6637 0.4656 X-ray density (g/cm cub.) = 3.78 MU (1/cm) = 177.986 Mass attenuation coefficient (cm**2/g) = 47.064 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Mg ,Fe ,Mn 2.724 6 2.1175 4 2.1746 6 2.1175 4 2.1746 6 2.0922 5 2.0922 5 2 Mg ,Fe ,Mn 2.724 6 2.1772 4 2.0907 5 2.2634 6 2.2634 6 2.0608 6 2.0608 6 3 Si 2.1 4 1.6137 4 1.6348 6 1.6348 6 1.6501 5 4 O 3.264 12 2.8859 6 2.7479 6 3.1776 6 3.1776 6 2.8859 6 2.7479 6 2.8872 5 2.7414 5 3.0638 5 3.0638 5 3.0328 6 3.0328 6 5 O 3.264 10 3.2535 6 3.2535 6 2.8872 4 2.7414 4 2.5545 6 3.0638 4 3.0638 4 2.9419 6 2.9419 6 2.5545 6 6 O 3.264 10 2.7479 4 2.8859 4 3.2535 5 3.1776 4 2.6042 6 2.5545 5 3.0328 4 2.9419 5 3.012 6 3.012 6 X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.): No H K L Theta 2*Theta S LPG MF F I int. ( degree ) *100 1 0 2 0 9.977 19.955 0.097 63.71 2 29.3 122.5 2 1 1 0 11.89 23.779 0.115 44.24 4 9.0 16.1 3 0 2 1 13.177 26.354 0.127 35.63 4 39.8 253.7 4 1 0 1 13.799 27.597 0.133 32.32 4 24.6 88.0 5 1 1 1 14.7 29.4 0.142 28.24 8 38.8 381.8 6 1 2 0 14.766 29.533 0.142 27.97 4 25.9 84.6 7 1 2 1 17.146 34.291 0.165 20.26 8 16.8 51.3 8 0 0 2 17.234 34.468 0.166 20.03 2 45.8 94.4 9 1 3 0 18.671 37.342 0.179 16.81 4 101.3 775.0 10 0 2 2 20.073 40.146 0.192 14.32 4 48.0 148.6 11 0 4 0 20.275 40.549 0.194 14.0 2 34.4 37.3 12 1 3 1 20.656 41.311 0.197 13.43 8 75.2 683.7 13 1 1 2 21.154 42.307 0.202 12.74 8 91.6 960.6 14 2 0 0 21.954 43.908 0.209 11.72 2 51.2 69.0 15 0 4 1 22.139 44.278 0.211 11.5 4 48.2 120.1 16 2 1 0 22.567 45.134 0.215 11.01 4 39.9 78.6 17 1 2 2 23.006 46.011 0.218 10.54 8 46.9 208.3 18 1 4 0 23.187 46.373 0.22 10.36 4 59.2 162.9 19 2 1 1 24.291 48.581 0.23 9.32 8 34.5 100.0 20 2 2 0 24.334 48.668 0.23 9.28 4 7.2 2.2 21 1 4 1 24.877 49.754 0.235 8.83 8 0.7 0.0 22 1 3 2 25.861 51.723 0.244 8.08 8 27.1 53.5 23 2 2 1 25.968 51.937 0.245 8.01 8 11.1 8.8 24 2 3 0 27.085 54.171 0.255 7.27 4 17.4 9.9 25 0 4 2 27.124 54.248 0.255 7.25 4 26.9 23.6 26 1 5 0 28.149 56.298 0.264 6.66 4 36.5 39.9 27 0 2 3 28.489 56.979 0.267 6.49 4 2.1 0.1 28 2 0 2 28.491 56.982 0.267 6.48 4 16.2 7.7 29 2 3 1 28.608 57.216 0.268 6.43 8 1.2 0.1 30 1 0 3 28.825 57.649 0.27 6.32 4 10.6 3.2 31 2 1 2 29.001 58.002 0.271 6.23 8 12.3 8.5 32 1 1 3 29.331 58.661 0.274 6.07 8 35.4 68.5 33 1 4 2 29.521 59.043 0.275 5.99 8 4.4 1.1 34 1 5 1 29.635 59.271 0.276 5.93 8 30.6 50.0 35 2 2 2 30.498 60.997 0.284 5.57 8 114.4 654.5 36 2 4 0 30.647 61.295 0.285 5.51 4 90.1 201.0 37 1 2 3 30.818 61.636 0.286 5.44 8 24.9 30.2 38 0 6 0 31.318 62.635 0.291 5.25 2 8.4 0.8 39 2 4 1 32.062 64.125 0.297 4.98 8 51.1 117.2 40 0 6 1 32.716 65.433 0.302 4.77 4 76.6 125.8 41 2 3 2 32.904 65.807 0.304 4.71 8 15.1 9.6 42 1 3 3 33.21 66.421 0.306 4.62 8 62.1 160.4 43 1 6 0 33.53 67.06 0.309 4.53 4 14.2 4.1 44 1 5 2 33.854 67.709 0.311 4.44 8 50.2 100.7 45 0 4 3 34.301 68.603 0.315 4.32 4 61.7 73.8 46 3 1 0 34.572 69.144 0.317 4.25 4 44.2 37.3 47 1 6 1 34.882 69.765 0.32 4.17 8 5.2 1.0 48 2 5 0 34.903 69.805 0.32 4.17 4 8.1 1.2 49 3 0 1 35.452 70.905 0.324 4.04 4 16.5 5.0 50 3 1 1 35.906 71.812 0.328 3.94 8 35.0 43.4 51 3 2 0 35.941 71.881 0.328 3.93 4 31.1 17.0 52 2 1 3 35.957 71.914 0.328 3.93 8 23.0 18.6 53 2 4 2 36.129 72.257 0.33 3.89 8 33.2 38.5 54 2 5 1 36.231 72.463 0.33 3.87 8 31.5 34.5 55 0 0 4 36.338 72.677 0.331 3.85 2 162.7 228.9 56 1 4 3 36.423 72.846 0.332 3.83 8 11.1 4.2 57 0 6 2 36.748 73.495 0.334 3.77 4 131.4 292.2 58 3 2 1 37.254 74.508 0.338 3.67 8 19.2 12.2 59 2 2 3 37.304 74.609 0.339 3.66 8 11.1 4.1 60 0 2 4 38.124 76.248 0.345 3.52 4 21.5 7.4 61 3 3 0 38.176 76.353 0.346 3.52 4 53.9 45.9 62 1 6 2 38.816 77.631 0.35 3.42 8 7.1 1.5 63 1 1 4 38.855 77.71 0.351 3.41 8 8.2 2.1 64 1 7 0 39.388 78.776 0.355 3.33 4 89.7 120.6 65 3 3 1 39.464 78.927 0.355 3.32 8 49.4 73.0 66 2 3 3 39.513 79.026 0.356 3.32 8 7.0 1.5 67 3 1 2 39.802 79.603 0.358 3.28 8 55.8 91.7 68 2 6 0 39.812 79.624 0.358 3.28 4 2.9 0.1 69 2 5 2 40.116 80.232 0.36 3.24 8 11.0 3.5 70 1 2 4 40.169 80.338 0.361 3.23 8 8.6 2.1 71 1 5 3 40.401 80.801 0.362 3.21 8 21.1 12.8 72 1 7 1 40.665 81.33 0.364 3.18 8 11.7 3.9 73 2 6 1 41.085 82.171 0.367 3.13 8 26.4 19.6 74 3 2 2 41.108 82.216 0.368 3.13 8 63.4 113.0 75 3 4 0 41.24 82.48 0.368 3.11 4 46.6 30.3 76 1 3 4 42.338 84.676 0.376 3.01 8 66.3 118.9 77 3 4 1 42.505 85.01 0.378 2.99 8 37.6 38.0 78 2 4 3 42.554 85.107 0.378 2.99 8 28.1 21.2 79 0 6 3 43.147 86.294 0.382 2.94 4 61.2 49.6 80 3 3 2 43.269 86.538 0.383 2.93 8 0.8 0.0 81 0 4 4 43.349 86.698 0.384 2.93 4 32.2 13.7 82 0 8 0 43.872 87.743 0.387 2.89 2 28.5 5.3 83 1 7 2 44.453 88.907 0.391 2.86 8 13.3 4.5 84 2 0 4 44.478 88.956 0.392 2.86 4 56.8 41.3 85 2 6 2 44.87 89.739 0.394 2.83 8 38.2 37.2 86 2 1 4 44.908 89.816 0.395 2.83 8 23.8 14.4 X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 9.977 19.955 5.1625 122.5 12.8 13.0 5.6 2 1 1 0 11.89 23.779 4.34144 16.1 1.7 1.7 5.6 3 0 2 1 13.177 26.354 3.92381 253.7 26.4 26.8 5.6 4 1 0 1 13.799 27.597 3.75017 88.0 9.2 9.3 5.6 5 1 1 1 14.7 29.4 3.52487 381.8 39.8 40.2 5.6 6 1 2 0 14.766 29.533 3.50938 84.6 8.8 8.9 5.6 7 1 2 1 17.146 34.291 3.03412 51.3 5.3 5.4 5.7 8 0 0 2 17.234 34.468 3.019 94.4 9.8 9.9 5.7 9 1 3 0 18.671 37.342 2.79401 775.0 80.7 81.1 5.7 10 0 2 2 20.073 40.146 2.60609 148.6 15.5 15.5 5.7 11 0 4 0 20.275 40.549 2.58125 37.3 3.9 3.9 5.7 12 1 3 1 20.656 41.311 2.53569 683.7 71.2 71.3 5.7 13 1 1 2 21.154 42.307 2.47862 960.6 100.0 100.0 5.7 14 2 0 0 21.954 43.908 2.3925 69.0 7.2 7.2 5.7 15 0 4 1 22.139 44.278 2.37346 120.1 12.5 12.5 5.7 16 2 1 0 22.567 45.134 2.33074 78.6 8.2 8.2 5.7 17 1 2 2 23.006 46.011 2.28866 208.3 21.7 21.6 5.7 18 1 4 0 23.187 46.373 2.27178 162.9 17.0 16.9 5.7 19 2 1 1 24.291 48.581 2.17437 100.0 10.4 10.3 5.7 20 1 3 2 25.861 51.723 2.05059 53.5 5.6 5.5 5.8 21 2 3 0 27.085 54.171 1.96447 9.9 1.0 1.0 5.8 22 0 4 2 27.124 54.248 1.96191 23.6 2.5 2.4 5.8 23 1 5 0 28.149 56.298 1.89598 39.9 4.2 4.1 5.8 24 1 1 3 29.331 58.661 1.82599 68.5 7.1 7.0 5.8 25 1 5 1 29.635 59.271 1.8089 50.0 5.2 5.1 5.8 26 2 2 2 30.498 60.997 1.76243 654.5 68.1 66.6 5.8 27 2 4 0 30.647 61.295 1.75469 201.0 20.9 20.4 5.8 28 1 2 3 30.818 61.636 1.74592 30.2 3.1 3.1 5.8 29 2 4 1 32.062 64.125 1.68498 117.2 12.2 11.9 5.9 30 0 6 1 32.716 65.433 1.65493 125.8 13.1 12.7 5.9 31 1 3 3 33.21 66.421 1.63308 160.4 16.7 16.2 5.9 32 1 5 2 33.854 67.709 1.60561 100.7 10.5 10.1 5.9 33 0 4 3 34.301 68.603 1.5872 73.8 7.7 7.4 5.9 34 3 1 0 34.572 69.144 1.5763 37.3 3.9 3.7 5.9 35 3 1 1 35.906 71.812 1.52519 43.4 4.5 4.3 5.9 36 2 1 3 35.957 71.914 1.52331 35.7 3.7 3.6 5.9 37 2 4 2 36.129 72.257 1.51706 38.5 4.0 3.8 5.9 38 2 5 1 36.231 72.463 1.51335 34.5 3.6 3.4 5.9 39 0 0 4 36.338 72.677 1.5095 228.9 23.8 22.8 6.0 40 0 6 2 36.748 73.495 1.49502 292.2 30.4 29.1 6.0 41 3 2 1 37.254 74.508 1.47759 12.2 1.3 1.2 6.0 42 3 3 0 38.176 76.353 1.44715 45.9 4.8 4.5 6.0 43 1 7 0 39.388 78.776 1.40955 120.6 12.6 11.9 6.0 44 3 3 1 39.464 78.927 1.40729 73.0 7.6 7.2 6.0 45 3 1 2 39.802 79.603 1.3973 91.8 9.6 9.0 6.0 46 1 5 3 40.401 80.801 1.38007 12.8 1.3 1.3 6.1 47 3 2 2 41.108 82.216 1.36043 132.6 13.8 12.9 6.1 48 3 4 0 41.24 82.48 1.35686 30.3 3.2 3.0 6.1 49 1 3 4 42.338 84.676 1.32807 118.9 12.4 11.5 6.1 50 3 4 1 42.505 85.01 1.32384 38.0 4.0 3.7 6.1 51 2 4 3 42.554 85.107 1.32262 21.2 2.2 2.1 6.1 52 0 6 3 43.147 86.294 1.30794 49.6 5.2 4.8 6.1 53 0 4 4 43.349 86.698 1.30305 13.7 1.4 1.3 6.1 54 2 0 4 44.478 88.956 1.27664 45.9 4.8 4.4 6.2 55 2 6 2 44.87 89.739 1.26784 37.2 3.9 3.6 6.2 56 2 1 4 44.908 89.816 1.26699 14.4 1.5 1.4 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) |