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 6, t-beryl, syn, f-cordierite, s-cordierite, DN (K,Na)(0.06)(Mg,Cr,Al)(2)[Be(1.07)Al(2.15)Si(5.78)]O(18) Hexagonal P 6/mcc Z = 2 R =0.026 NR =1082 23 .4 .12 Ref.Str.: Mikhaylov M.A., Rozhdestvenskaya I.V., Bannova I.I, Matveeva L.N., Demina T.V. (2009) * Kristallogr., 54, 231-238 R: Sample BI 2-5. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 9.606 alpha = 90.0 b = 9.606 beta = 90.0 c = 9.279 gamma = 120.0 Unit cell volume (cub. angs.) = 741.51 Molar volume ( cub.cm/mol.) = 223.32 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 = 0.84, Cr = 0.14, Al = 0.06 2 0.5 0.0 0.25 0.0 Al = 0.65, Be = 0.35 3 0.3741 0.1066 0.0 0.0 Si = 0.95, Al = 0.05 4 0.3039 0.2274 0.0 0.0 O = 1.00 5 0.4838 0.1362 0.1428 0.0 O = 1.00 6 0.0 0.0 0.0 0.0 Na = 0.09, Na = 0.0 7 0.0 0.0 0.25 0.0 K = 0.05, 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 0.0 0.25 3 3 0.3741 0.1066 0.0 4 4 0.3039 0.2274 0.0 5 5 0.4838 0.1362 0.1428 6 6 0.0 0.0 0.0 7 7 0.0 0.0 0.25 8 2 0.0 0.5 0.25 9 2 0.5 0.5 0.25 10 3 0.8934 0.2675 0.0 11 3 0.7325 0.6259 0.0 12 4 0.7726 0.0765 0.0 13 4 0.9235 0.6961 0.0 14 5 0.8638 0.3476 0.1428 15 5 0.6524 0.5162 0.1428 16 1 0.6667 0.3333 0.25 17 3 0.6259 0.8934 0.0 18 4 0.6961 0.7726 0.0 19 5 0.5162 0.8638 0.1428 20 3 0.1066 0.7325 0.0 21 3 0.2675 0.3741 0.0 22 4 0.2274 0.9235 0.0 23 4 0.0765 0.3039 0.0 24 5 0.1362 0.6524 0.1428 25 5 0.3476 0.4838 0.1428 26 1 0.3333 0.6667 0.75 27 2 0.5 0.5 0.75 28 3 0.3741 0.2675 0.5 29 4 0.3039 0.0765 0.5 30 5 0.4838 0.3476 0.6428 31 6 0.0 0.0 0.5 32 7 0.0 0.0 0.75 33 2 0.0 0.5 0.75 34 2 0.5 0.0 0.75 35 3 0.8934 0.6259 0.5 36 3 0.7325 0.1066 0.5 37 4 0.7726 0.6961 0.5 38 4 0.9235 0.2274 0.5 39 5 0.8638 0.5163 0.6428 40 5 0.6524 0.1362 0.6428 41 1 0.6667 0.3333 0.75 42 3 0.6259 0.7325 0.5 43 4 0.6961 0.9235 0.5 44 5 0.5162 0.6524 0.6428 45 3 0.1066 0.3741 0.5 46 3 0.2675 0.8934 0.5 47 4 0.2274 0.3039 0.5 48 4 0.0765 0.7726 0.5 49 5 0.1362 0.4837 0.6428 50 5 0.3476 0.8638 0.6428 51 5 0.4838 0.1362 0.8572 52 5 0.8638 0.3476 0.8572 53 5 0.6524 0.5162 0.8572 54 5 0.5162 0.8638 0.8572 55 5 0.1362 0.6524 0.8572 56 5 0.3476 0.4838 0.8572 57 5 0.4838 0.3476 0.3572 58 5 0.8638 0.5163 0.3572 59 5 0.6524 0.1362 0.3572 60 5 0.5162 0.6524 0.3572 61 5 0.1362 0.4837 0.3572 62 5 0.3476 0.8638 0.3572 X-ray density (g/cm cub.) = 2.6 MU (1/cm) = 97.837 Mass attenuation coefficient (cm**2/g) = 37.6 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Mg ,Cr ,Al 2.628 6 2.0821 5 2.0821 5 2.0821 5 2.0822 5 2.0822 5 2.0821 5 2 Al ,Be 2.316 4 1.7114 5 1.7114 5 1.7114 5 1.7114 5 3 Si ,Al 2.316 4 1.6075 4 1.6271 5 1.6125 4 1.6271 5 4 O 3.264 6 2.6501 5 2.6299 4 2.6301 4 2.6388 5 2.6501 5 2.6388 5 5 O 3.264 9 2.6501 4 3.1684 5 3.1684 5 2.7854 5 2.6388 4 2.6505 5 2.8425 5 2.5654 5 3.015 5 6 Na ,Na 2.808 6 2.63 4 2.6299 4 2.63 4 2.63 4 2.6299 4 2.63 4 7 K ,K 3.228 0 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 5.313 10.626 0.06 230.3 6 79.0 1569.4 2 1 1 0 9.229 18.457 0.104 74.83 6 48.9 195.5 3 0 0 2 9.557 19.114 0.108 69.63 2 93.3 220.3 4 2 0 0 10.672 21.344 0.12 55.42 6 12.8 9.9 5 1 0 2 10.959 21.917 0.123 52.44 12 69.7 556.8 6 1 1 2 13.346 26.692 0.15 34.68 12 108.5 891.9 7 2 1 0 14.18 28.361 0.159 30.5 12 13.9 12.9 8 2 0 2 14.401 28.803 0.161 29.51 12 89.0 510.0 9 2 1 1 14.991 29.981 0.168 27.08 24 98.1 1138.4 10 3 0 0 16.128 32.255 0.18 23.14 6 32.0 25.9 11 2 1 2 17.214 34.427 0.192 20.09 24 56.8 283.1 12 2 2 0 18.708 37.417 0.208 16.74 6 53.4 52.0 13 3 0 2 18.882 37.763 0.21 16.4 12 16.3 9.5 14 0 0 4 19.393 38.787 0.216 15.46 2 147.6 122.5 15 3 1 0 19.502 39.005 0.217 15.27 12 12.1 4.9 16 3 1 1 20.122 40.243 0.223 14.24 24 24.3 36.6 17 1 0 4 20.165 40.33 0.224 14.17 12 17.6 9.6 18 2 1 3 20.447 40.893 0.227 13.74 24 22.6 30.6 19 2 2 2 21.172 42.344 0.234 12.71 12 40.6 45.8 20 1 1 4 21.639 43.278 0.239 12.11 12 33.2 29.2 21 4 0 0 21.738 43.477 0.24 11.98 6 33.8 15.0 22 3 1 2 21.892 43.783 0.242 11.79 24 48.3 120.1 23 2 0 4 22.346 44.692 0.247 11.26 12 47.5 55.4 24 3 2 0 23.803 47.607 0.262 9.76 12 51.1 55.6 25 4 0 2 23.946 47.893 0.263 9.63 12 33.0 22.8 26 3 2 1 24.334 48.667 0.267 9.28 24 24.7 24.7 27 2 1 4 24.371 48.742 0.268 9.25 24 19.2 14.8 28 3 1 3 24.614 49.228 0.27 9.04 24 61.4 148.6 29 4 1 0 25.107 50.214 0.275 8.65 12 76.0 109.0 30 4 1 1 25.617 51.234 0.281 8.26 24 49.9 89.6 31 3 0 4 25.653 51.306 0.281 8.23 12 85.5 131.3 32 3 2 2 25.875 51.751 0.283 8.07 24 4.4 0.7 33 4 1 2 27.106 54.212 0.296 7.26 24 34.5 37.6 34 2 2 4 27.495 54.99 0.3 7.03 12 136.0 283.7 35 5 0 0 27.578 55.157 0.301 6.98 6 118.0 106.2 36 3 1 4 28.09 56.181 0.306 6.7 24 25.3 18.7 37 3 2 3 28.311 56.621 0.308 6.58 24 37.0 39.3 38 3 3 0 28.759 57.518 0.312 6.35 6 59.6 24.6 39 2 1 5 28.814 57.628 0.313 6.32 24 26.7 19.7 40 4 2 0 29.337 58.675 0.318 6.07 12 52.3 36.2 41 5 0 2 29.461 58.922 0.319 6.01 12 5.3 0.4 42 4 1 3 29.472 58.944 0.319 6.01 24 74.9 147.1 43 4 2 1 29.797 59.595 0.323 5.86 24 4.3 0.5 44 4 0 4 29.83 59.66 0.323 5.85 12 20.0 5.1 45 0 0 6 29.873 59.746 0.323 5.83 2 133.7 37.9 46 1 0 6 30.438 60.877 0.329 5.59 12 20.9 5.3 47 3 3 2 30.595 61.19 0.33 5.53 12 67.2 54.4 48 5 1 0 31.033 62.066 0.335 5.35 12 15.9 3.0 49 4 2 2 31.153 62.305 0.336 5.31 24 29.6 20.3 50 5 1 1 31.478 62.956 0.339 5.19 24 12.5 3.6 51 3 2 4 31.51 63.019 0.339 5.18 24 64.0 92.7 52 1 1 6 31.551 63.103 0.34 5.16 12 74.0 61.8 53 2 0 6 32.1 64.199 0.345 4.97 12 48.3 25.3 54 3 1 5 32.186 64.372 0.346 4.94 24 27.0 15.7 55 4 1 4 32.602 65.203 0.35 4.81 24 9.8 2.0 56 5 1 2 32.793 65.586 0.352 4.75 24 63.0 82.1 57 4 2 3 33.34 66.681 0.357 4.58 24 21.8 9.5 58 2 1 6 33.715 67.43 0.36 4.48 24 55.4 60.0 59 6 0 0 33.749 67.498 0.361 4.47 6 64.0 20.0 60 4 3 0 34.279 68.557 0.366 4.32 12 21.1 4.2 61 4 3 1 34.702 69.403 0.37 4.22 24 1.1 0.0 62 5 0 4 34.731 69.463 0.37 4.21 12 31.1 8.9 63 3 0 6 34.771 69.542 0.37 4.2 12 8.1 0.6 64 5 1 3 34.927 69.854 0.372 4.16 24 9.6 1.7 65 5 2 0 35.327 70.654 0.375 4.07 12 76.2 51.5 66 3 2 5 35.376 70.752 0.376 4.06 24 26.2 12.1 67 6 0 2 35.439 70.878 0.376 4.04 12 133.3 156.7 68 5 2 1 35.744 71.488 0.379 3.97 24 72.7 91.7 69 3 3 4 35.774 71.547 0.379 3.97 12 0.1 0.0 70 4 3 2 35.957 71.914 0.381 3.93 24 2.2 0.1 71 4 2 4 36.29 72.58 0.384 3.86 24 67.4 76.4 72 2 2 6 36.329 72.658 0.385 3.85 12 64.8 35.3 73 4 1 5 36.41 72.821 0.385 3.83 24 55.4 51.4 74 3 1 6 36.842 73.684 0.389 3.75 24 46.5 35.4 75 5 2 2 36.985 73.97 0.391 3.72 24 38.6 24.3 76 6 1 0 37.385 74.77 0.394 3.65 12 38.8 12.0 77 6 1 1 37.794 75.587 0.398 3.58 24 0.8 0.0 78 5 1 4 37.822 75.645 0.398 3.57 24 22.3 7.8 79 4 3 3 38.012 76.023 0.4 3.54 24 74.4 85.6 80 4 0 6 38.367 76.733 0.403 3.48 12 48.3 17.8 81 6 1 2 39.01 78.02 0.409 3.39 24 13.8 2.8 82 5 2 3 39.02 78.04 0.409 3.39 24 47.5 33.3 83 2 1 7 39.096 78.192 0.409 3.38 24 76.8 86.8 84 3 2 6 39.872 79.744 0.416 3.27 24 2.0 0.1 85 4 4 0 39.904 79.807 0.416 3.27 6 8.5 0.3 86 4 2 5 39.951 79.902 0.417 3.26 24 10.6 1.6 87 6 0 4 40.333 80.665 0.42 3.21 12 37.4 9.8 88 5 3 0 40.402 80.804 0.421 3.21 12 31.4 6.9 89 7 0 0 40.402 80.804 0.421 3.21 6 53.6 10.0 90 5 3 1 40.802 81.603 0.424 3.16 24 1.8 0.0 91 4 3 4 40.83 81.66 0.424 3.16 24 63.7 55.9 92 4 1 6 40.867 81.735 0.425 3.15 24 0.8 0.0 93 6 1 3 41.015 82.03 0.426 3.14 24 28.1 10.8 94 5 1 5 41.442 82.883 0.43 3.09 24 1.2 0.0 95 4 4 2 41.501 83.002 0.43 3.09 12 83.7 47.2 96 0 0 8 41.614 83.228 0.431 3.07 2 220.8 54.5 97 5 2 4 41.82 83.641 0.433 3.06 24 78.3 81.7 98 6 2 0 41.889 83.779 0.433 3.05 12 29.7 5.9 99 5 3 2 41.996 83.991 0.434 3.04 24 22.7 6.9 100 7 0 2 41.996 83.991 0.434 3.04 12 12.9 1.1 101 3 1 7 42.08 84.16 0.435 3.03 24 12.2 2.0 102 1 0 8 42.108 84.216 0.435 3.03 12 27.6 5.0 103 6 2 1 42.286 84.572 0.437 3.01 24 13.3 2.3 104 5 0 6 42.845 85.689 0.441 2.97 12 30.1 5.9 105 1 1 8 43.094 86.188 0.443 2.95 12 23.0 3.4 106 6 2 2 43.474 86.948 0.447 2.92 24 27.6 9.7 107 2 0 8 43.586 87.172 0.448 2.91 12 10.6 0.7 108 6 1 4 43.791 87.583 0.449 2.9 24 30.0 11.4 109 3 3 6 43.829 87.658 0.45 2.9 12 72.9 33.6 110 5 3 3 43.975 87.95 0.451 2.89 24 17.8 4.0 111 4 2 6 44.32 88.64 0.454 2.87 24 18.8 4.4 112 7 1 0 44.351 88.703 0.454 2.86 12 0.3 0.0 113 4 3 5 44.398 88.796 0.454 2.86 24 37.0 17.1 114 7 1 1 44.746 89.493 0.457 2.84 24 44.2 24.2 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 5.313 10.626 8.31904 1569.4 100.0 100.0 5.6 2 1 1 0 9.229 18.457 4.803 195.5 12.5 12.4 5.6 3 0 0 2 9.557 19.114 4.6395 220.3 14.0 14.0 5.6 4 1 0 2 10.959 21.917 4.05196 556.8 35.5 35.2 5.6 5 1 1 2 13.346 26.692 3.33693 891.9 56.8 56.2 5.6 6 2 0 2 14.401 28.803 3.09706 510.0 32.5 32.1 5.6 7 2 1 1 14.991 29.981 2.97797 1138.4 72.5 71.6 5.6 8 3 0 0 16.128 32.255 2.77301 25.9 1.7 1.6 5.6 9 2 1 2 17.214 34.427 2.60286 283.1 18.0 17.7 5.7 10 2 2 0 18.708 37.417 2.4015 52.0 3.3 3.3 5.7 11 0 0 4 19.393 38.787 2.31975 122.5 7.8 7.6 5.7 12 3 1 1 20.122 40.243 2.2391 36.6 2.3 2.3 5.7 13 2 1 3 20.447 40.893 2.205 30.6 2.0 1.9 5.7 14 2 2 2 21.172 42.344 2.13272 45.8 2.9 2.8 5.7 15 1 1 4 21.639 43.278 2.08887 29.2 1.9 1.8 5.7 16 3 1 2 21.892 43.783 2.06591 120.1 7.7 7.5 5.7 17 2 0 4 22.346 44.692 2.02598 55.4 3.5 3.4 5.7 18 3 2 0 23.803 47.607 1.90852 55.6 3.5 3.4 5.7 19 4 0 2 23.946 47.893 1.8978 22.8 1.5 1.4 5.7 20 3 2 1 24.334 48.667 1.86939 24.7 1.6 1.5 5.7 21 3 1 3 24.614 49.228 1.8494 148.6 9.5 9.2 5.7 22 4 1 0 25.107 50.214 1.81536 109.0 6.9 6.7 5.8 23 4 1 1 25.617 51.234 1.78159 89.6 5.7 5.5 5.8 24 3 0 4 25.653 51.306 1.77927 131.3 8.4 8.1 5.8 25 4 1 2 27.106 54.212 1.69056 37.6 2.4 2.3 5.8 26 2 2 4 27.495 54.99 1.66846 283.7 18.1 17.4 5.8 27 5 0 0 27.578 55.157 1.66381 106.2 6.8 6.5 5.8 28 3 1 4 28.09 56.181 1.63589 18.7 1.2 1.1 5.8 29 3 2 3 28.311 56.621 1.6242 39.3 2.5 2.4 5.8 30 3 3 0 28.759 57.518 1.601 24.6 1.6 1.5 5.8 31 2 1 5 28.814 57.628 1.5982 19.7 1.3 1.2 5.8 32 4 2 0 29.337 58.675 1.57215 36.2 2.3 2.2 5.8 33 4 1 3 29.472 58.944 1.56562 147.1 9.4 9.0 5.8 34 0 0 6 29.873 59.746 1.5465 37.9 2.4 2.3 5.8 35 3 3 2 30.595 61.19 1.51342 54.4 3.5 3.3 5.8 36 4 2 2 31.153 62.305 1.48899 20.3 1.3 1.2 5.8 37 3 2 4 31.51 63.019 1.47382 92.7 5.9 5.6 5.9 38 1 1 6 31.551 63.103 1.47207 61.8 3.9 3.7 5.9 39 2 0 6 32.1 64.199 1.44955 25.3 1.6 1.5 5.9 40 3 1 5 32.186 64.372 1.44608 15.7 1.0 0.9 5.9 41 5 1 2 32.793 65.586 1.42221 82.1 5.2 5.0 5.9 42 2 1 6 33.715 67.43 1.38773 60.0 3.8 3.6 5.9 43 6 0 0 33.749 67.498 1.38651 20.0 1.3 1.2 5.9 44 5 2 0 35.327 70.654 1.33211 51.5 3.3 3.1 5.9 45 6 0 2 35.439 70.878 1.32845 156.7 10.0 9.4 5.9 46 5 2 1 35.744 71.488 1.31859 91.7 5.8 5.5 5.9 47 4 2 4 36.29 72.58 1.30143 76.4 4.9 4.5 6.0 48 2 2 6 36.329 72.658 1.30022 35.3 2.2 2.1 6.0 49 4 1 5 36.41 72.821 1.29772 51.4 3.3 3.1 6.0 50 3 1 6 36.842 73.684 1.28463 35.4 2.3 2.1 6.0 51 5 2 2 36.985 73.97 1.28038 24.3 1.5 1.4 6.0 52 4 3 3 38.012 76.023 1.25082 85.6 5.5 5.1 6.0 53 4 0 6 38.367 76.733 1.241 17.8 1.1 1.0 6.0 54 5 2 3 39.02 78.04 1.22347 36.1 2.3 2.1 6.0 55 2 1 7 39.096 78.192 1.22146 86.8 5.5 5.1 6.0 56 7 0 0 40.402 80.804 1.18843 16.9 1.1 1.0 6.1 57 4 3 4 40.83 81.66 1.17813 55.9 3.6 3.3 6.1 58 4 4 2 41.501 83.002 1.16245 47.2 3.0 2.7 6.1 59 0 0 8 41.614 83.228 1.15988 54.5 3.5 3.2 6.1 60 5 2 4 41.82 83.641 1.15519 81.7 5.2 4.7 6.1 61 3 3 6 43.829 87.658 1.11231 33.6 2.1 1.9 6.2 62 4 3 5 44.398 88.796 1.10097 17.1 1.1 1.0 6.2 63 7 1 1 44.746 89.493 1.0942 24.2 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) |