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 *** *********************** INDIALITE 7, (K-substituted), f-cordierite, s-cordierite, DF K(0.085)Mg(2)Al(4.17)Si(4.83)O(18) Hexagonal P 6/mcc Z = 2 R =0.051 NR =295 27 .12 .1989 Ref.Str.: Y.H.Kim, D.Mercurio, I.P.Mercurio, B.Frit (1984) * Mater. Res. Bull., 19,209-217 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 9.764 alpha = 90.0 b = 9.764 beta = 90.0 c = 9.36 gamma = 120.0 Unit cell volume (cub. angs.) = 772.79 Molar volume ( cub.cm/mol.) = 232.74 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.3333 0.6667 0.25 0.0 Mg = 1.00 2 0.5 0.5 0.25 0.0 Al = 0.46, Si = 0.54 3 0.3731 0.2661 0.0 0.0 Al = 0.46, Si = 0.54 4 0.4846 0.349 0.1442 0.0 O = 1.00 5 0.2309 0.3084 0.0 0.0 O = 1.00 6 0.0 0.0 0.1469 0.0 K = 0.04, K = 0.0 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.3333 0.6667 0.25 2 2 0.5 0.5 0.25 3 3 0.3731 0.2661 0.0 4 4 0.4846 0.349 0.1442 5 5 0.2309 0.3084 0.0 6 6 0.0 0.0 0.1469 7 2 0.5 0.0 0.25 8 2 0.0 0.5 0.25 9 3 0.7339 0.107 0.0 10 3 0.893 0.6269 0.0 11 4 0.651 0.1356 0.1442 12 4 0.8644 0.5154 0.1442 13 5 0.6916 0.9225 0.0 14 5 0.0775 0.7691 0.0 15 1 0.6667 0.3333 0.25 16 3 0.6269 0.7339 0.0 17 4 0.5154 0.651 0.1442 18 5 0.7691 0.6916 0.0 19 3 0.2661 0.893 0.0 20 3 0.107 0.3731 0.0 21 4 0.349 0.8644 0.1442 22 4 0.1356 0.4846 0.1442 23 5 0.3084 0.0775 0.0 24 5 0.9225 0.2309 0.0 25 1 0.3333 0.6667 0.75 26 2 0.5 0.0 0.75 27 3 0.3731 0.107 0.5 28 4 0.4846 0.1356 0.6442 29 5 0.2309 0.9225 0.5 30 6 0.0 0.0 0.6469 31 2 0.5 0.5 0.75 32 2 0.0 0.5 0.75 33 3 0.7339 0.6269 0.5 34 3 0.893 0.2661 0.5 35 4 0.651 0.5154 0.6442 36 4 0.8644 0.349 0.6442 37 5 0.6916 0.7691 0.5 38 5 0.0775 0.3084 0.5 39 1 0.6667 0.3333 0.75 40 3 0.6269 0.893 0.5 41 4 0.5154 0.8644 0.6442 42 5 0.7691 0.0775 0.5 43 3 0.2661 0.3731 0.5 44 3 0.107 0.7339 0.5 45 4 0.349 0.4846 0.6442 46 4 0.1356 0.651 0.6442 47 5 0.3084 0.2309 0.5 48 5 0.9225 0.6916 0.5 49 4 0.4846 0.349 0.8558 50 6 0.0 0.0 0.8531 51 4 0.651 0.1356 0.8558 52 4 0.8644 0.5154 0.8558 53 4 0.5154 0.651 0.8558 54 4 0.349 0.8644 0.8558 55 4 0.1356 0.4846 0.8558 56 4 0.4846 0.1356 0.3558 57 6 0.0 0.0 0.3531 58 4 0.651 0.5154 0.3558 59 4 0.8644 0.349 0.3558 60 4 0.5154 0.8644 0.3558 61 4 0.349 0.4846 0.3558 62 4 0.1356 0.651 0.3558 X-ray density (g/cm cub.) = 2.53 MU (1/cm) = 83.149 Mass attenuation coefficient (cm**2/g) = 32.91 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Mg 2.52 6 2.1063 4 2.1063 4 2.1063 4 2.1062 4 2.1064 4 2.1062 4 2 Al ,Si 2.316 4 1.7191 4 1.7191 4 1.7191 4 1.7191 4 3 Al ,Si 2.316 4 1.6676 4 1.6346 5 1.6207 5 1.6676 4 4 O 3.264 9 2.6708 5 3.2198 4 3.2198 4 2.8105 4 2.6922 5 2.6994 4 2.8748 4 2.5618 4 3.0301 4 5 O 3.264 6 2.6708 4 2.6923 4 2.7131 5 2.7133 5 2.6708 4 2.6923 4 6 K ,K 3.228 6 3.0417 5 3.0417 5 3.0418 5 3.0417 5 3.0417 5 3.0418 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 1 0 0 5.227 10.453 0.059 238.04 6 83.9 1685.5 2 1 1 0 9.078 18.156 0.102 77.41 6 63.9 317.2 3 0 0 2 9.473 18.947 0.107 70.9 2 72.9 126.2 4 2 0 0 10.497 20.994 0.118 57.35 6 12.6 9.2 5 1 0 2 10.843 21.686 0.122 53.62 12 71.8 555.1 6 1 1 2 13.179 26.359 0.148 35.62 12 95.2 648.7 7 2 1 0 13.946 27.893 0.156 31.59 12 10.8 7.4 8 2 0 2 14.213 28.426 0.159 30.35 12 112.9 776.6 9 2 1 1 14.754 29.509 0.165 28.02 24 94.3 1000.5 10 3 0 0 15.86 31.719 0.177 23.99 6 18.7 8.4 11 2 1 2 16.969 33.938 0.189 20.72 24 59.4 294.0 12 2 2 0 18.395 36.789 0.205 17.37 6 65.1 73.9 13 3 0 2 18.604 37.207 0.207 16.94 12 29.4 29.5 14 3 1 0 19.174 38.349 0.213 15.85 12 11.1 3.9 15 0 0 4 19.219 38.438 0.214 15.77 2 152.6 123.0 16 3 1 1 19.791 39.583 0.22 14.78 24 25.4 38.3 17 1 0 4 19.971 39.943 0.222 14.48 12 9.8 2.8 18 2 1 3 20.183 40.366 0.224 14.15 24 26.2 39.0 19 2 2 2 20.849 41.698 0.231 13.16 12 49.0 63.5 20 4 0 0 21.369 42.738 0.237 12.45 6 16.8 3.5 21 1 1 4 21.41 42.82 0.237 12.4 12 49.6 61.2 22 3 1 2 21.554 43.108 0.238 12.21 24 49.8 121.5 23 2 0 4 22.101 44.201 0.244 11.54 12 33.9 26.6 24 3 2 0 23.395 46.79 0.258 10.15 12 55.9 63.8 25 4 0 2 23.567 47.134 0.26 9.98 12 52.3 54.9 26 3 2 1 23.923 47.846 0.263 9.65 24 22.3 19.3 27 2 1 4 24.078 48.156 0.265 9.51 24 24.1 22.3 28 3 1 3 24.261 48.521 0.267 9.35 24 62.0 144.4 29 4 1 0 24.673 49.347 0.271 9.0 12 62.5 70.6 30 4 1 1 25.181 50.362 0.276 8.59 24 45.2 70.5 31 3 0 4 25.33 50.66 0.278 8.47 12 71.2 86.2 32 3 2 2 25.457 50.914 0.279 8.38 24 4.7 0.7 33 4 1 2 26.662 53.323 0.291 7.54 24 27.9 23.6 34 5 0 0 27.095 54.19 0.296 7.27 6 121.7 108.2 35 2 2 4 27.129 54.259 0.296 7.25 12 142.5 295.9 36 3 1 4 27.711 55.422 0.302 6.91 24 32.0 28.4 37 3 2 3 27.876 55.753 0.304 6.81 24 34.3 32.2 38 3 3 0 28.251 56.502 0.307 6.61 6 70.0 32.5 39 2 1 5 28.481 56.961 0.31 6.49 24 26.8 18.8 40 4 2 0 28.818 57.635 0.313 6.32 12 67.3 57.5 41 5 0 2 28.966 57.933 0.314 6.25 12 3.4 0.1 42 4 1 3 29.012 58.023 0.315 6.22 24 73.8 136.3 43 4 2 1 29.275 58.55 0.317 6.1 24 6.4 1.0 44 4 0 4 29.41 58.819 0.319 6.04 12 33.2 13.4 45 0 0 6 29.589 59.177 0.321 5.95 2 128.6 33.0 46 3 3 2 30.075 60.151 0.325 5.74 12 57.9 38.7 47 1 0 6 30.139 60.278 0.326 5.71 12 22.7 5.9 48 5 1 0 30.477 60.954 0.329 5.57 12 17.1 3.3 49 4 2 2 30.621 61.241 0.331 5.52 24 12.2 3.3 50 5 1 1 30.919 61.838 0.334 5.4 24 14.5 4.5 51 3 2 4 31.049 62.099 0.335 5.35 24 71.3 109.2 52 1 1 6 31.223 62.445 0.336 5.28 12 63.1 42.3 53 2 0 6 31.756 63.513 0.342 5.09 12 62.6 40.1 54 3 1 5 31.768 63.537 0.342 5.09 24 24.7 12.4 55 4 1 4 32.115 64.23 0.345 4.97 24 24.6 12.1 56 5 1 2 32.224 64.448 0.346 4.93 24 66.0 86.3 57 4 2 3 32.791 65.581 0.352 4.75 24 18.8 6.8 58 6 0 0 33.132 66.263 0.355 4.65 6 74.8 26.1 59 2 1 6 33.329 66.659 0.357 4.59 24 59.5 65.2 60 4 3 0 33.649 67.298 0.36 4.5 12 20.6 3.8 61 4 3 1 34.068 68.137 0.364 4.38 24 0.6 0.0 62 5 0 4 34.192 68.385 0.365 4.35 12 37.8 12.5 63 5 1 3 34.339 68.678 0.366 4.31 24 10.1 1.8 64 3 0 6 34.357 68.714 0.366 4.3 12 1.3 0.0 65 5 2 0 34.672 69.345 0.369 4.22 12 70.4 42.1 66 6 0 2 34.807 69.613 0.371 4.19 12 142.5 171.0 67 3 2 5 34.877 69.754 0.371 4.17 24 23.6 9.3 68 5 2 1 35.086 70.172 0.373 4.12 24 71.0 83.7 69 3 3 4 35.208 70.416 0.374 4.1 12 13.3 1.5 70 4 3 2 35.312 70.624 0.375 4.07 24 1.1 0.0 71 4 2 4 35.711 71.423 0.379 3.98 24 79.9 102.0 72 2 2 6 35.873 71.746 0.38 3.95 12 72.9 42.1 73 4 1 5 35.884 71.769 0.38 3.94 24 52.2 43.3 74 5 2 2 36.314 72.629 0.384 3.85 24 50.3 39.2 75 3 1 6 36.372 72.745 0.385 3.84 24 51.4 40.8 76 6 1 0 36.68 73.36 0.388 3.78 12 40.3 12.3 77 6 1 1 37.084 74.168 0.391 3.7 24 1.3 0.0 78 5 1 4 37.204 74.407 0.392 3.68 24 16.7 4.1 79 4 3 3 37.345 74.69 0.394 3.66 24 75.8 84.5 80 4 0 6 37.855 75.709 0.398 3.57 12 63.9 29.3 81 6 1 2 38.287 76.574 0.402 3.5 24 16.8 3.9 82 5 2 3 38.327 76.653 0.403 3.49 24 43.2 26.2 83 2 1 7 38.642 77.284 0.405 3.44 24 74.8 77.4 84 4 4 0 39.133 78.265 0.41 3.37 6 13.9 0.7 85 3 2 6 39.318 78.635 0.411 3.34 24 4.7 0.3 86 4 2 5 39.328 78.657 0.411 3.34 24 7.8 0.8 87 5 3 0 39.617 79.235 0.414 3.3 12 36.2 8.7 88 7 0 0 39.617 79.235 0.414 3.3 6 60.2 12.0 89 6 0 4 39.646 79.291 0.414 3.3 12 29.3 5.7 90 5 3 1 40.012 80.024 0.417 3.25 24 1.7 0.0 91 4 3 4 40.129 80.258 0.418 3.24 24 67.6 59.6 92 6 1 3 40.267 80.534 0.42 3.22 24 26.1 8.8 93 4 1 6 40.284 80.569 0.42 3.22 24 9.9 1.3 94 4 4 2 40.71 81.419 0.423 3.17 12 95.3 57.9 95 5 1 5 40.777 81.553 0.424 3.16 24 2.4 0.1 96 6 2 0 41.063 82.126 0.426 3.13 12 44.8 12.6 97 5 2 4 41.091 82.182 0.427 3.13 24 69.4 60.6 98 0 0 8 41.175 82.35 0.427 3.12 2 223.1 52.0 99 5 3 2 41.19 82.38 0.427 3.12 24 24.7 7.6 100 7 0 2 41.19 82.38 0.427 3.12 12 13.1 1.1 101 6 2 1 41.454 82.909 0.43 3.09 24 11.0 1.5 102 3 1 7 41.538 83.076 0.43 3.08 24 13.5 2.3 103 1 0 8 41.654 83.308 0.431 3.07 12 30.1 5.6 104 5 0 6 42.203 84.406 0.436 3.02 12 28.0 4.8 105 1 1 8 42.61 85.22 0.439 2.99 12 32.0 6.1 106 6 2 2 42.625 85.25 0.44 2.98 24 43.8 23.0 107 6 1 4 43.003 86.007 0.443 2.95 24 34.5 14.1 108 2 0 8 43.087 86.173 0.443 2.95 12 2.6 0.0 109 5 3 3 43.14 86.28 0.444 2.94 24 17.6 3.7 110 3 3 6 43.157 86.314 0.444 2.94 12 64.2 24.4 111 7 1 0 43.452 86.904 0.446 2.92 12 10.7 0.7 112 4 2 6 43.633 87.267 0.448 2.91 24 3.5 0.1 113 4 3 5 43.644 87.288 0.448 2.91 24 35.6 14.8 114 7 1 1 43.84 87.681 0.45 2.89 24 41.3 19.8 115 3 2 7 44.399 88.798 0.454 2.86 24 12.8 1.9 116 2 1 8 44.514 89.029 0.455 2.85 24 0.1 0.0 117 6 2 3 44.568 89.135 0.456 2.85 24 25.8 7.6 118 5 2 5 44.595 89.191 0.456 2.85 24 50.0 28.6 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 5.227 10.453 8.45587 1685.5 100.0 100.0 5.6 2 1 1 0 9.078 18.156 4.882 317.2 18.8 18.7 5.6 3 0 0 2 9.473 18.947 4.68 126.2 7.5 7.4 5.6 4 1 0 2 10.843 21.686 4.09469 555.1 32.9 32.7 5.6 5 1 1 2 13.179 26.359 3.37842 648.7 38.5 38.1 5.6 6 2 0 2 14.213 28.426 3.13728 776.6 46.1 45.5 5.6 7 2 1 1 14.754 29.509 3.02456 1000.5 59.4 58.6 5.6 8 2 1 2 16.969 33.938 2.6393 294.0 17.4 17.2 5.7 9 2 2 0 18.395 36.789 2.441 73.9 4.4 4.3 5.7 10 3 0 2 18.604 37.207 2.41453 29.5 1.7 1.7 5.7 11 0 0 4 19.219 38.438 2.34 123.0 7.3 7.1 5.7 12 3 1 1 19.791 39.583 2.27491 38.3 2.3 2.2 5.7 13 2 1 3 20.183 40.366 2.23256 39.0 2.3 2.3 5.7 14 2 2 2 20.849 41.698 2.16429 63.5 3.8 3.7 5.7 15 1 1 4 21.41 42.82 2.11013 61.2 3.6 3.5 5.7 16 3 1 2 21.554 43.108 2.0967 121.5 7.2 7.0 5.7 17 2 0 4 22.101 44.201 2.04735 26.6 1.6 1.5 5.7 18 3 2 0 23.395 46.79 1.93991 63.8 3.8 3.7 5.7 19 4 0 2 23.567 47.134 1.92654 54.9 3.3 3.2 5.7 20 3 2 1 23.923 47.846 1.89954 19.3 1.1 1.1 5.7 21 2 1 4 24.078 48.156 1.88804 22.3 1.3 1.3 5.7 22 3 1 3 24.261 48.521 1.87468 144.4 8.6 8.3 5.7 23 4 1 0 24.673 49.347 1.84522 70.6 4.2 4.1 5.7 24 4 1 1 25.181 50.362 1.81038 70.5 4.2 4.0 5.8 25 3 0 4 25.33 50.66 1.80042 86.2 5.1 4.9 5.8 26 4 1 2 26.662 53.323 1.71661 23.6 1.4 1.3 5.8 27 5 0 0 27.095 54.19 1.69117 108.2 6.4 6.2 5.8 28 2 2 4 27.129 54.259 1.68921 295.9 17.6 16.9 5.8 29 3 1 4 27.711 55.422 1.65648 28.4 1.7 1.6 5.8 30 3 2 3 27.876 55.753 1.64743 32.2 1.9 1.8 5.8 31 3 3 0 28.251 56.502 1.62733 32.5 1.9 1.8 5.8 32 2 1 5 28.481 56.961 1.61531 18.8 1.1 1.1 5.8 33 4 2 0 28.818 57.635 1.59801 57.5 3.4 3.3 5.8 34 4 1 3 29.012 58.023 1.58825 136.3 8.1 7.7 5.8 35 0 0 6 29.589 59.177 1.56 33.0 2.0 1.9 5.8 36 3 3 2 30.075 60.151 1.53706 38.7 2.3 2.2 5.8 37 3 2 4 31.049 62.099 1.49344 109.2 6.5 6.2 5.8 38 1 1 6 31.223 62.445 1.48598 42.3 2.5 2.4 5.8 39 2 0 6 31.756 63.513 1.46355 52.5 3.1 3.0 5.9 40 5 1 2 32.224 64.448 1.44456 86.3 5.1 4.9 5.9 41 6 0 0 33.132 66.263 1.40931 26.1 1.5 1.5 5.9 42 2 1 6 33.329 66.659 1.40191 65.2 3.9 3.7 5.9 43 5 2 0 34.672 69.345 1.35402 42.1 2.5 2.3 5.9 44 6 0 2 34.807 69.613 1.34945 171.0 10.1 9.5 5.9 45 5 2 1 35.086 70.172 1.34007 83.7 5.0 4.7 5.9 46 4 2 4 35.711 71.423 1.31965 102.0 6.1 5.7 5.9 47 4 1 5 35.884 71.769 1.31413 85.4 5.1 4.7 5.9 48 5 2 2 36.314 72.629 1.30068 39.2 2.3 2.2 6.0 49 3 1 6 36.372 72.745 1.29889 40.8 2.4 2.3 6.0 50 4 3 3 37.345 74.69 1.2698 84.5 5.0 4.7 6.0 51 4 0 6 37.855 75.709 1.25522 29.3 1.7 1.6 6.0 52 5 2 3 38.327 76.653 1.2421 26.2 1.6 1.4 6.0 53 2 1 7 38.642 77.284 1.23354 77.4 4.6 4.2 6.0 54 7 0 0 39.617 79.235 1.20798 26.5 1.6 1.4 6.0 55 4 3 4 40.129 80.258 1.19514 59.6 3.5 3.2 6.0 56 4 4 2 40.71 81.419 1.181 57.9 3.4 3.1 6.1 57 5 2 4 41.091 82.182 1.17196 73.2 4.3 4.0 6.1 58 0 0 8 41.175 82.35 1.17 60.7 3.6 3.3 6.1 59 6 2 2 42.625 85.25 1.13746 29.1 1.7 1.6 6.1 60 3 3 6 43.157 86.314 1.12614 28.0 1.7 1.5 6.1 61 7 1 1 43.84 87.681 1.11207 19.8 1.2 1.1 6.2 62 5 2 5 44.595 89.191 1.09712 36.2 2.1 1.9 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) |