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 *** *********************** TEPHROITE 4, t-olivine, syn, f-olivine, s-forsterite MnMgSiO(4) Orthorhombic P nma Z = 4 Pnma 17 .4 .17 Ref.Str.: Yamazaki S., Toraya H. (1999) * J. Applied Cryst., 32,51-59 R: N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 10.451 alpha = 90.0 b = 6.1245 beta = 90.0 c = 4.8076 gamma = 90.0 Unit cell volume (cub. angs.) = 307.72 Molar volume ( cub.cm/mol.) = 46.34 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 Mn = 0.29, Mg = 0.7 2 0.2791 0.25 0.9879 0.0 Mn = 0.7 , Mg = 0.29 3 0.0928 0.25 0.4243 0.0 Si = 1.00 4 0.089 0.25 0.7572 0.0 O = 1.00 5 0.4516 0.25 0.2261 0.0 O = 1.00 6 0.1607 0.0392 0.2782 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 0.2791 0.25 0.9879 3 3 0.0928 0.25 0.4243 4 4 0.089 0.25 0.7572 5 5 0.4516 0.25 0.2261 6 6 0.1607 0.0392 0.2782 7 1 0.5 0.0 0.5 8 2 0.2209 0.75 0.4879 9 3 0.4072 0.75 0.9243 10 4 0.411 0.75 0.2572 11 5 0.0484 0.75 0.7261 12 6 0.3393 0.9608 0.7782 13 1 0.5 0.5 0.5 14 6 0.3393 0.5392 0.7782 15 1 0.0 0.5 0.0 16 6 0.1607 0.4608 0.2782 17 2 0.7791 0.25 0.5121 18 3 0.5928 0.25 0.0757 19 4 0.589 0.25 0.7428 20 5 0.9516 0.25 0.2739 21 6 0.6607 0.0392 0.2218 22 2 0.7209 0.75 0.0121 23 3 0.9072 0.75 0.5757 24 4 0.911 0.75 0.2428 25 5 0.5484 0.75 0.7739 26 6 0.8393 0.9608 0.7218 27 6 0.8393 0.5392 0.7218 28 6 0.6607 0.4608 0.2218 X-ray density (g/cm cub.) = 3.7 MU (1/cm) = 112.33 Mass attenuation coefficient (cm**2/g) = 30.385 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Mn ,Mg 2.724 6 2.1382 4 2.1603 6 2.0819 5 2.0819 5 2.1382 4 2.1603 6 2 Mn ,Mg 2.724 6 2.2754 4 2.1358 5 2.2684 6 2.1329 6 2.1329 6 2.2684 6 3 Si 2.1 4 1.6009 4 1.6321 6 1.6321 6 1.6433 5 4 O 3.264 12 2.9158 6 2.7443 6 3.0951 5 3.0951 5 3.1607 6 3.1607 6 2.9158 6 2.7443 6 2.8693 5 2.7314 5 3.1585 6 3.1585 6 5 O 3.264 8 3.0951 4 3.0951 4 3.0251 6 3.0251 6 2.8693 4 2.7314 4 2.5383 6 2.5383 6 6 O 3.264 9 2.7443 4 2.9158 4 3.1607 4 3.0251 5 3.081 6 3.081 6 2.5821 6 2.5383 5 3.1585 4 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 2 0 0 9.856 19.712 0.096 65.34 2 15.8 34.3 2 1 0 1 11.817 23.635 0.114 44.8 4 1.7 0.6 3 2 1 0 13.003 26.007 0.126 36.64 4 37.0 211.7 4 0 1 1 13.682 27.363 0.132 32.91 4 27.8 107.5 5 1 1 1 14.568 29.137 0.141 28.79 8 47.9 556.9 6 2 0 1 14.644 29.288 0.141 28.47 4 28.6 98.6 7 2 1 1 16.976 33.952 0.163 20.7 8 16.5 47.8 8 0 2 0 16.983 33.967 0.163 20.68 2 65.8 189.1 9 3 0 1 18.486 36.973 0.177 17.18 4 95.9 668.2 10 2 2 0 19.789 39.578 0.189 14.78 4 46.2 133.3 11 4 0 0 20.02 40.04 0.191 14.4 2 33.8 34.8 12 3 1 1 20.432 40.864 0.195 13.76 8 85.5 850.5 13 1 2 1 20.9 41.8 0.199 13.09 8 86.1 819.2 14 0 0 2 21.845 43.691 0.208 11.85 2 46.9 55.0 15 4 1 0 21.851 43.702 0.208 11.84 4 58.0 168.2 16 1 0 2 22.446 44.893 0.213 11.15 4 38.0 68.1 17 2 2 1 22.725 45.45 0.216 10.84 8 47.3 205.2 18 4 0 1 22.932 45.864 0.218 10.62 4 60.0 161.4 19 1 1 2 24.129 48.259 0.229 9.46 8 32.5 84.6 20 2 0 2 24.179 48.358 0.229 9.42 4 11.2 5.0 21 4 1 1 24.589 49.178 0.233 9.07 8 1.5 0.2 22 3 2 1 25.538 51.077 0.241 8.32 8 15.4 16.6 23 2 1 2 25.776 51.551 0.243 8.14 8 16.8 19.4 24 4 2 0 26.745 53.49 0.252 7.49 4 8.3 2.2 25 3 0 2 26.878 53.756 0.253 7.4 4 19.5 11.9 26 5 0 1 27.816 55.631 0.261 6.85 4 24.3 17.1 27 2 3 0 28.06 56.119 0.263 6.71 4 4.8 0.7 28 0 2 2 28.233 56.466 0.264 6.62 4 28.8 23.1 29 3 1 2 28.366 56.731 0.266 6.55 8 0.4 0.0 30 0 3 1 28.425 56.85 0.266 6.52 4 12.9 4.6 31 1 2 2 28.733 57.467 0.269 6.36 8 13.8 10.2 32 1 3 1 28.923 57.847 0.27 6.27 8 43.3 99.5 33 4 2 1 29.141 58.282 0.272 6.16 8 2.1 0.2 34 5 1 1 29.271 58.543 0.273 6.1 8 31.7 51.8 35 2 2 2 30.203 60.407 0.281 5.69 8 118.0 668.8 36 4 0 2 30.373 60.746 0.283 5.62 4 93.1 205.7 37 2 3 1 30.388 60.775 0.283 5.61 8 26.4 33.1 38 6 0 0 30.898 61.797 0.287 5.41 2 3.5 0.1 39 4 1 2 31.756 63.512 0.294 5.09 8 57.4 141.7 40 6 1 0 32.268 64.536 0.298 4.92 4 80.3 134.1 41 3 2 2 32.564 65.128 0.301 4.82 8 16.0 10.4 42 3 3 1 32.741 65.482 0.302 4.76 8 70.8 202.0 43 6 0 1 33.105 66.211 0.305 4.65 4 20.7 8.4 44 5 2 1 33.402 66.804 0.308 4.57 8 51.6 102.7 45 4 3 0 33.782 67.563 0.311 4.46 4 72.6 99.4 46 1 0 3 34.38 68.76 0.316 4.3 4 38.6 27.0 47 6 1 1 34.428 68.856 0.316 4.29 8 6.6 1.6 48 5 0 2 34.547 69.095 0.317 4.26 4 3.6 0.2 49 0 1 3 35.236 70.472 0.323 4.09 4 15.0 3.9 50 1 3 2 35.533 71.065 0.325 4.02 8 21.9 16.3 51 1 1 3 35.68 71.361 0.326 3.99 8 46.2 72.1 52 2 0 3 35.719 71.439 0.326 3.98 4 30.8 15.9 53 4 2 2 35.728 71.456 0.326 3.98 8 24.4 20.0 54 0 4 0 35.746 71.491 0.327 3.97 2 166.9 233.9 55 5 1 2 35.845 71.689 0.327 3.95 8 31.5 33.1 56 4 3 1 35.897 71.794 0.328 3.94 8 13.9 6.4 57 6 2 0 36.212 72.424 0.33 3.87 4 133.9 293.4 58 2 3 2 36.854 73.708 0.335 3.75 8 10.6 3.6 59 2 1 3 36.999 73.999 0.336 3.72 8 20.9 13.8 60 2 4 0 37.499 74.998 0.34 3.63 4 14.1 3.1 61 3 0 3 37.907 75.814 0.343 3.56 4 52.0 40.7 62 1 4 1 38.246 76.493 0.346 3.5 8 1.7 0.1 63 6 2 1 38.271 76.542 0.346 3.5 8 6.7 1.3 64 7 0 1 38.853 77.706 0.351 3.41 4 95.7 131.9 65 3 3 2 39.018 78.036 0.352 3.39 8 8.2 1.9 66 3 1 3 39.161 78.322 0.353 3.37 8 50.6 73.0 67 6 0 2 39.358 78.716 0.354 3.34 4 11.0 1.7 68 1 2 3 39.476 78.952 0.355 3.32 8 50.3 71.2 69 2 4 1 39.535 79.07 0.356 3.32 8 7.5 1.6 70 5 2 2 39.635 79.27 0.357 3.3 8 14.3 5.7 71 5 3 1 39.798 79.596 0.358 3.28 8 22.2 13.7 72 7 1 1 40.098 80.197 0.36 3.24 8 8.7 2.1 73 6 1 2 40.599 81.198 0.364 3.18 8 31.1 26.0 74 2 2 3 40.754 81.507 0.365 3.17 8 68.3 124.6 75 4 0 3 40.903 81.806 0.366 3.15 4 54.0 38.7 76 3 4 1 41.659 83.318 0.372 3.07 8 64.9 109.2 77 4 3 2 41.994 83.988 0.374 3.04 8 31.8 25.9 78 4 1 3 42.134 84.269 0.375 3.03 8 36.7 34.4 79 6 3 0 42.457 84.913 0.377 3.0 4 62.6 49.6 80 4 4 0 42.618 85.236 0.379 2.98 4 35.6 16.0 81 3 2 3 42.866 85.731 0.38 2.96 8 4.8 0.6 82 8 0 0 43.211 86.422 0.383 2.94 2 19.3 2.3 83 7 2 1 43.788 87.577 0.387 2.9 8 28.2 19.4 84 0 4 2 43.839 87.678 0.387 2.89 4 58.0 41.2 85 1 4 2 44.259 88.517 0.39 2.87 8 23.3 13.1 86 6 2 2 44.283 88.565 0.39 2.87 8 34.6 29.1 87 8 1 0 44.434 88.869 0.391 2.86 4 1.3 0.0 88 6 3 1 44.443 88.886 0.391 2.86 8 17.9 7.7 89 4 4 1 44.604 89.208 0.393 2.85 8 24.1 14.0 90 5 0 3 44.694 89.389 0.393 2.84 4 8.8 0.9 91 7 0 2 44.85 89.7 0.394 2.84 4 18.9 4.3 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 2 0 0 9.856 19.712 5.2255 34.3 4.0 4.1 5.6 2 2 1 0 13.003 26.007 3.97519 211.7 24.9 25.2 5.6 3 0 1 1 13.682 27.363 3.78163 107.5 12.6 12.8 5.6 4 1 1 1 14.568 29.137 3.55599 556.9 65.5 66.2 5.6 5 2 0 1 14.644 29.288 3.538 98.6 11.6 11.7 5.6 6 0 2 0 16.983 33.967 3.06223 236.9 27.9 28.0 5.7 7 3 0 1 18.486 36.973 2.82092 668.2 78.6 78.9 5.7 8 2 2 0 19.789 39.578 2.642 133.3 15.7 15.7 5.7 9 4 0 0 20.02 40.04 2.61275 34.8 4.1 4.1 5.7 10 3 1 1 20.432 40.864 2.5622 850.5 100.0 100.0 5.7 11 1 2 1 20.9 41.8 2.50735 819.2 96.3 96.2 5.7 12 4 1 0 21.851 43.702 2.4032 223.2 26.2 26.2 5.7 13 1 0 2 22.446 44.893 2.34262 68.1 8.0 8.0 5.7 14 2 2 1 22.725 45.45 2.3154 205.2 24.1 24.0 5.7 15 4 0 1 22.932 45.864 2.29564 161.4 19.0 18.9 5.7 16 1 1 2 24.129 48.259 2.18802 84.6 9.9 9.9 5.7 17 3 2 1 25.538 51.077 2.07476 16.6 2.0 1.9 5.8 18 2 1 2 25.776 51.551 2.05695 19.4 2.3 2.3 5.8 19 3 0 2 26.878 53.756 1.97849 11.9 1.4 1.4 5.8 20 5 0 1 27.816 55.631 1.91687 17.1 2.0 2.0 5.8 21 0 2 2 28.233 56.466 1.89082 23.1 2.7 2.7 5.8 22 1 2 2 28.733 57.467 1.86061 10.2 1.2 1.2 5.8 23 1 3 1 28.923 57.847 1.84943 99.5 11.7 11.5 5.8 24 5 1 1 29.271 58.543 1.82936 51.8 6.1 6.0 5.8 25 2 2 2 30.203 60.407 1.778 668.8 78.6 76.8 5.8 26 4 0 2 30.373 60.746 1.769 238.8 28.1 27.4 5.8 27 4 1 2 31.756 63.512 1.69953 141.7 16.7 16.2 5.9 28 6 1 0 32.268 64.536 1.67539 134.1 15.8 15.3 5.9 29 3 2 2 32.564 65.128 1.66181 10.4 1.2 1.2 5.9 30 3 3 1 32.741 65.482 1.65383 202.0 23.7 23.0 5.9 31 5 2 1 33.402 66.804 1.62479 102.7 12.1 11.7 5.9 32 4 3 0 33.782 67.563 1.60866 99.4 11.7 11.3 5.9 33 1 0 3 34.38 68.76 1.58401 27.0 3.2 3.1 5.9 34 1 3 2 35.533 71.065 1.53908 16.3 1.9 1.8 5.9 35 1 1 3 35.68 71.361 1.53355 72.1 8.5 8.1 5.9 36 0 4 0 35.746 71.491 1.53112 269.9 31.7 30.4 5.9 37 5 1 2 35.845 71.689 1.52745 33.1 3.9 3.7 5.9 38 6 2 0 36.212 72.424 1.51404 293.4 34.5 33.0 5.9 39 2 1 3 36.999 73.999 1.4863 13.8 1.6 1.5 6.0 40 3 0 3 37.907 75.814 1.45587 40.7 4.8 4.5 6.0 41 7 0 1 38.853 77.706 1.42583 131.9 15.5 14.7 6.0 42 3 1 3 39.161 78.322 1.4164 73.0 8.6 8.1 6.0 43 1 2 3 39.476 78.952 1.40693 71.2 8.4 7.9 6.0 44 5 3 1 39.798 79.596 1.39741 13.7 1.6 1.5 6.0 45 6 1 2 40.599 81.198 1.37448 26.0 3.1 2.9 6.1 46 2 2 3 40.754 81.507 1.37017 124.6 14.6 13.7 6.1 47 4 0 3 40.903 81.806 1.36604 38.7 4.6 4.3 6.1 48 3 4 1 41.659 83.318 1.34567 109.2 12.8 12.0 6.1 49 4 3 2 41.994 83.988 1.33691 25.9 3.0 2.8 6.1 50 4 1 3 42.134 84.269 1.33328 34.4 4.0 3.8 6.1 51 6 3 0 42.457 84.913 1.32506 49.6 5.8 5.4 6.1 52 4 4 0 42.618 85.236 1.321 16.0 1.9 1.8 6.1 53 7 2 1 43.788 87.577 1.29258 19.4 2.3 2.1 6.2 54 0 4 2 43.839 87.678 1.29139 41.2 4.8 4.5 6.2 55 6 2 2 44.283 88.565 1.2811 42.2 5.0 4.6 6.2 56 4 4 1 44.604 89.208 1.27379 14.0 1.6 1.5 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) |