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 *** *********************** SCHEUCHZERITE 1, DN Na(Mn,Mg)(9)[VSi(9)O(28)(OH)](OH)(3) Triclinic P 1(-) Z = 2 P1(-) 31 .10 .1907 Ref.Str.: Brugger J., Krivovichev S., Meisser N., Ansermet S., Armbruster T. (2006) * Amer. Mineral., 91, 937-943 Reserv: From Fianel, Val Ferrera, Central Alps, Switzerland. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 9.831 alpha = 86.22 b = 10.107 beta = 73.38 c = 13.855 gamma = 71.99 Unit cell volume (cub. angs.) = 1254.13 Molar volume ( cub.cm/mol.) = 377.7 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.131 0.4358 0.2935 0.0 Na = 0.8 , Na = 0.0 2 0.0757 0.831 0.0136 0.0 Mn = 1.00 3 0.5671 0.6937 0.1599 0.0 Mn = 1.00 4 0.1538 0.0823 0.5619 0.0 Mn = 1.00 5 0.7129 0.3634 0.1903 0.0 Mn = 0.93, Mg = 0.07 6 0.7499 0.4835 0.9689 0.0 Mn = 1.00 7 0.3262 0.7645 0.588 0.0 Mn = 1.00 8 0.4794 0.4353 0.614 0.0 Mn = 0.84, Mg = 0.16 9 0.6306 0.1039 0.6374 0.0 Mn = 0.8 , Mg = 0.2 10 0.1425 0.9711 0.7869 0.0 Mn = 1.00 11 0.109 0.557 0.649 0.0 Mg = 0.2 , Mg = 0.0 12 0.8167 0.2386 0.7693 0.0 V = 0.89, V = 0.0 13 0.951 0.297 0.77 0.0 V = 0.11, V = 0.0 14 0.455 0.7412 0.9501 0.0 Si = 1.00 15 0.2825 0.0474 0.9656 0.0 Si = 1.00 16 0.0371 0.1425 0.3656 0.0 Si = 1.00 17 0.48 0.1836 0.2658 0.0 Si = 1.00 18 0.6926 0.6304 0.5435 0.0 Si = 1.00 19 0.934 0.5555 0.1366 0.0 Si = 1.00 20 0.0804 0.2371 0.149 0.0 Si = 1.00 21 0.7539 0.7385 0.3257 0.0 Si = 1.00 22 0.845 0.3251 0.55 0.0 Si = 1.00 23 0.3109 0.6926 0.9527 0.0 O = 1.00 24 0.4944 0.4802 0.7588 0.0 OH = 1.00 25 0.5457 0.6038 0.5341 0.0 O = 1.00 26 0.9318 0.2056 0.1429 0.0 O = 1.00 27 0.9012 0.0925 0.3562 0.0 O = 1.00 28 0.1432 0.0098 0.9403 0.0 O = 1.00 29 0.6968 0.2872 0.5556 0.0 O = 1.00 30 0.2692 0.5927 0.6638 0.0 OH = 1.00 31 0.9164 0.1186 0.8378 0.0 O = 1.00 32 0.6385 0.1939 0.2723 0.0 O = 1.00 33 0.7892 0.5351 0.1161 0.0 O = 1.00 34 0.3811 0.9364 0.512 0.0 OH = 1.00 35 0.1507 0.0328 0.417 0.0 O = 1.00 36 0.5975 0.7299 0.3174 0.0 O = 1.00 37 0.6667 0.1889 0.7688 0.0 O = 1.00 38 0.5537 0.644 0.0175 0.0 O = 1.00 39 0.7899 0.8761 0.3067 0.0 O = 1.00 40 0.9266 0.2407 0.6354 0.0 O = 1.00 41 0.7603 0.4006 0.8198 0.0 O = 1.00 42 0.0202 0.6468 0.0628 0.0 O = 1.00 43 0.8117 0.4896 0.5668 0.0 O = 1.00 44 0.0649 0.402 0.1387 0.0 O = 1.00 45 0.7716 0.7015 0.442 0.0 O = 1.00 46 0.1109 0.1989 0.2573 0.0 O = 1.00 47 0.3949 0.9012 0.9902 0.0 O = 1.00 48 0.3661 0.1245 0.872 0.0 O = 0.5 , O = 0.0 49 0.3661 0.1245 0.872 0.0 OH = 0.5 , OH = 0.0 50 0.2245 0.1509 0.0643 0.0 O = 1.00 51 0.8894 0.6113 0.2559 0.0 O = 1.00 52 0.4754 0.0258 0.2672 0.0 O = 0.5 , O = 0.0 53 0.4754 0.0258 0.2672 0.0 O = 0.5 , O = 0.0 54 0.97 0.2863 0.4368 0.0 O = 1.00 55 0.6573 0.7324 0.6382 0.0 O = 1.00 56 0.5579 0.732 0.8333 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.131 0.4358 0.2935 2 2 0.0757 0.831 0.0136 3 3 0.5671 0.6937 0.1599 4 4 0.1538 0.0823 0.5619 5 5 0.7129 0.3634 0.1903 6 6 0.7499 0.4835 0.9689 7 7 0.3262 0.7645 0.588 8 8 0.4794 0.4353 0.614 9 9 0.6306 0.1039 0.6374 10 10 0.1425 0.9711 0.7869 11 11 0.109 0.557 0.649 12 12 0.8167 0.2386 0.7693 13 13 0.951 0.297 0.77 14 14 0.455 0.7412 0.9501 15 15 0.2825 0.0474 0.9656 16 16 0.0371 0.1425 0.3656 17 17 0.48 0.1836 0.2658 18 18 0.6926 0.6304 0.5435 19 19 0.934 0.5555 0.1366 20 20 0.0804 0.2371 0.149 21 21 0.7539 0.7385 0.3257 22 22 0.845 0.3251 0.55 23 23 0.3109 0.6926 0.9527 24 24 0.4944 0.4802 0.7588 25 25 0.5457 0.6038 0.5341 26 26 0.9318 0.2056 0.1429 27 27 0.9012 0.0925 0.3562 28 28 0.1432 0.0098 0.9403 29 29 0.6968 0.2872 0.5556 30 30 0.2692 0.5927 0.6638 31 31 0.9164 0.1186 0.8378 32 32 0.6385 0.1939 0.2723 33 33 0.7892 0.5351 0.1161 34 34 0.3811 0.9364 0.512 35 35 0.1507 0.0328 0.417 36 36 0.5975 0.7299 0.3174 37 37 0.6667 0.1889 0.7688 38 38 0.5537 0.644 0.0175 39 39 0.7899 0.8761 0.3067 40 40 0.9266 0.2407 0.6354 41 41 0.7603 0.4006 0.8198 42 42 0.0202 0.6468 0.0628 43 43 0.8117 0.4896 0.5668 44 44 0.0649 0.402 0.1387 45 45 0.7716 0.7015 0.442 46 46 0.1109 0.1989 0.2573 47 47 0.3949 0.9012 0.9902 48 48 0.3661 0.1245 0.872 49 49 0.3661 0.1245 0.872 50 50 0.2245 0.1509 0.0643 51 51 0.8894 0.6113 0.2559 52 52 0.4754 0.0258 0.2672 53 53 0.4754 0.0258 0.2672 54 54 0.97 0.2863 0.4368 55 55 0.6573 0.7324 0.6382 56 56 0.5579 0.732 0.8333 57 1 0.869 0.5642 0.7065 58 2 0.9243 0.169 0.9864 59 3 0.4329 0.3063 0.8401 60 4 0.8462 0.9177 0.4381 61 5 0.2871 0.6366 0.8097 62 6 0.2501 0.5165 0.0311 63 7 0.6738 0.2355 0.412 64 8 0.5206 0.5647 0.386 65 9 0.3694 0.8961 0.3626 66 10 0.8575 0.0289 0.2131 67 11 0.891 0.443 0.351 68 12 0.1833 0.7614 0.2307 69 13 0.049 0.703 0.23 70 14 0.545 0.2588 0.0499 71 15 0.7175 0.9526 0.0344 72 16 0.9629 0.8575 0.6344 73 17 0.52 0.8164 0.7342 74 18 0.3074 0.3696 0.4565 75 19 0.066 0.4445 0.8634 76 20 0.9196 0.7629 0.851 77 21 0.2461 0.2615 0.6743 78 22 0.155 0.6749 0.45 79 23 0.6891 0.3074 0.0473 80 24 0.5056 0.5198 0.2412 81 25 0.4543 0.3962 0.4659 82 26 0.0682 0.7944 0.8571 83 27 0.0988 0.9075 0.6438 84 28 0.8568 0.9902 0.0597 85 29 0.3032 0.7128 0.4444 86 30 0.7308 0.4073 0.3362 87 31 0.0836 0.8814 0.1622 88 32 0.3615 0.8061 0.7277 89 33 0.2108 0.4649 0.8839 90 34 0.6189 0.0636 0.488 91 35 0.8493 0.9672 0.583 92 36 0.4025 0.2701 0.6826 93 37 0.3333 0.8111 0.2312 94 38 0.4463 0.356 0.9825 95 39 0.2101 0.1239 0.6933 96 40 0.0734 0.7593 0.3646 97 41 0.2397 0.5994 0.1802 98 42 0.9798 0.3532 0.9372 99 43 0.1883 0.5104 0.4332 100 44 0.9351 0.598 0.8613 101 45 0.2284 0.2985 0.558 102 46 0.8891 0.8011 0.7427 103 47 0.6051 0.0988 0.0098 104 48 0.6339 0.8755 0.128 105 49 0.6339 0.8755 0.128 106 50 0.7755 0.8491 0.9357 107 51 0.1106 0.3887 0.7441 108 52 0.5246 0.9742 0.7328 109 53 0.5246 0.9742 0.7328 110 54 0.03 0.7137 0.5632 111 55 0.3427 0.2676 0.3618 112 56 0.4421 0.268 0.1667 X-ray density (g/cm cub.) = 3.5 MU (1/cm) = 445.914 Mass attenuation coefficient (cm**2/g) = 127.249 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Na ,Na 2.856 7 2.4839 44 2.5556 46 2.6532 51 2.8314 54 2.4762 41 2.3897 43 2.616 55 2 Mn 2.772 6 2.2482 23 2.2027 28 2.1158 42 2.249 26 2.1991 28 2.1814 31 3 Mn 2.772 7 2.2161 33 2.3518 36 2.1172 38 2.1749 24 2.1991 37 2.1157 48 2.1157 49 4 Mn 2.772 6 2.2042 34 2.1115 35 2.3003 40 2.1626 27 2.1491 39 2.5037 45 5 Mn ,Mg 2.772 6 2.1939 26 2.1917 32 2.1817 33 2.1898 23 2.117 24 2.1643 30 6 Mn 2.772 6 2.3013 33 2.0667 38 2.2437 41 2.1764 23 2.1687 42 2.5298 44 7 Mn 2.772 6 2.2187 25 2.1111 30 2.1053 34 2.2011 27 2.1794 29 2.1506 32 8 Mn ,Mg 2.772 6 2.1408 24 2.1392 25 2.1576 29 2.1385 30 2.21 25 2.1032 36 9 Mn ,Mg 2.772 7 2.2776 29 2.2232 37 2.1772 34 2.1149 35 2.2909 36 2.0929 52 2.0929 53 10 Mn 2.772 6 2.1886 28 2.203 31 2.2001 26 2.314 27 2.2447 32 2.0944 39 11 Mg ,Mg 2.568 3 1.7884 30 2.0808 51 2.0109 54 12 V ,V 2.544 4 1.7256 31 1.7004 37 1.8633 40 1.6868 41 13 V ,V 2.544 5 2.0549 31 2.0831 40 1.7968 41 2.5332 42 1.9958 51 14 Si 2.148 4 1.6274 23 1.6082 38 1.6163 47 1.6359 56 15 Si 2.148 5 1.6603 28 1.6309 47 1.618 48 1.618 49 1.6319 50 16 Si 2.148 4 1.6072 27 1.6027 35 1.6196 46 1.6566 54 17 Si 2.148 5 1.6214 32 1.6081 52 1.6081 53 1.6508 55 1.6412 56 18 Si 2.148 4 1.5897 25 1.6203 43 1.6385 45 1.6129 55 19 Si 2.148 4 1.6032 33 1.5744 42 1.6866 44 1.6727 51 20 Si 2.148 4 1.6138 26 1.6264 44 1.6124 46 1.6011 50 21 Si 2.148 4 1.6031 36 1.5269 39 1.6755 45 1.6524 51 22 Si 2.148 4 1.5975 29 1.6607 40 1.6113 43 1.6746 54 23 O 3.312 11 3.267 24 3.1379 28 2.6809 38 2.99 42 2.6198 47 2.6468 56 2.9352 26 3.2056 32 3.0659 33 3.2931 38 3.1729 41 24 OH 3.36 11 3.267 23 3.2382 25 3.2878 29 2.7999 30 2.9245 37 2.8405 41 3.1031 56 3.1962 32 2.8756 33 2.9099 36 3.2282 38 25 O 3.312 12 3.2382 24 3.1181 29 2.8283 30 3.2857 34 3.1497 36 2.6679 43 2.6655 45 2.6471 55 2.8312 25 2.8864 29 3.2253 30 3.2108 32 26 O 3.312 12 3.0643 27 3.3116 28 2.9612 32 3.2313 33 2.6839 44 2.6693 46 2.6599 50 2.9352 23 2.902 28 3.2302 30 3.1818 31 3.1107 42 27 O 3.312 12 3.0643 26 3.2617 29 2.9991 32 2.6999 35 2.9254 39 2.6164 46 2.661 54 3.1399 30 3.2596 31 2.9419 34 3.2705 35 3.2796 40 28 O 3.312 10 3.1379 23 3.3116 26 2.8786 31 2.6466 47 2.6985 48 2.6985 49 2.7271 50 2.902 26 2.8881 28 3.2239 31 29 O 3.312 12 3.2878 24 3.1181 25 3.2617 27 3.0158 37 2.6927 40 2.6563 43 2.7169 54 2.8864 25 3.1637 30 2.8863 34 3.165 35 2.9756 36 30 OH 3.36 11 2.7999 24 2.8283 25 3.2253 25 3.2302 26 3.1399 27 3.1637 29 2.8602 32 3.1993 33 3.1396 36 2.9349 51 2.9731 54 31 O 3.312 9 2.8786 28 2.7602 37 2.976 40 2.8215 41 3.1818 26 3.2596 27 3.2239 28 3.0205 39 3.1213 42 32 O 3.312 12 2.9612 26 2.9991 27 3.1633 39 2.6885 52 2.6885 53 3.2056 23 3.1962 24 3.2108 25 2.8602 30 3.1641 34 2.696 55 2.647 56 33 O 3.312 12 3.2313 26 3.2603 36 2.9108 38 2.7375 42 2.7256 44 2.6594 51 3.0659 23 2.8756 24 3.1993 30 2.9746 42 3.298 48 3.298 49 34 OH 3.36 8 3.2857 25 2.8255 35 3.2964 36 2.9419 27 2.8863 29 3.1641 32 2.9303 34 2.9948 39 35 O 3.312 10 2.6999 27 2.8255 34 2.7325 46 3.2546 52 3.2546 53 2.6066 54 3.2705 27 3.165 29 3.2403 37 3.2596 40 36 O 3.312 14 3.1497 25 3.2603 33 3.2964 34 2.706 39 2.7042 45 2.647 51 2.9752 52 2.9752 53 2.9099 24 2.9756 29 3.1396 30 3.0287 37 2.9085 48 2.9085 49 37 O 3.312 11 2.9245 24 3.0158 29 2.7602 31 2.8666 40 2.7772 41 3.1387 48 3.1387 49 3.2403 35 3.0287 36 3.0537 52 3.0537 53 38 O 3.312 8 2.6809 23 2.9108 33 2.6526 47 2.6399 56 3.2931 23 3.2282 24 3.2777 48 3.2777 49 39 O 3.312 12 2.9254 27 3.1633 32 2.706 36 2.4956 45 2.6173 51 3.1802 52 3.1802 53 3.0205 31 2.9948 34 2.9873 40 3.2652 48 3.2652 49 40 O 3.312 10 2.6927 29 2.976 31 2.8666 37 2.8867 41 2.655 43 2.6924 54 3.2796 27 3.2596 35 2.9873 39 3.0764 45 41 O 3.312 9 2.8405 24 2.8215 31 2.7772 37 2.8867 40 3.3107 56 3.1729 23 2.966 42 3.1782 44 3.2663 51 42 O 3.312 9 2.99 23 2.7375 33 2.5826 44 2.6704 51 3.1107 26 3.1213 31 2.9746 33 2.966 41 3.2419 44 43 O 3.312 6 2.6679 25 2.6563 29 2.655 40 2.6668 45 2.6067 54 2.5421 55 44 O 3.312 8 2.6839 26 2.7256 33 2.5826 42 2.5544 46 2.631 50 2.5849 51 3.1782 41 3.2419 42 45 O 3.312 7 2.6655 25 2.7042 36 2.4956 39 2.6668 43 2.6018 51 2.6263 55 3.0764 40 46 O 3.312 7 2.6693 26 2.6164 27 2.7325 35 2.5544 44 2.6002 50 2.539 54 3.2817 55 47 O 3.312 7 2.6198 23 2.6466 28 2.6526 38 2.6905 48 2.6905 49 2.6406 50 2.6497 56 48 O ,O 3.312 10 2.6985 28 3.1387 37 2.6905 47 2.6173 50 3.298 33 2.9085 36 3.2777 38 3.2652 39 2.3788 52 2.3788 53 49 OH ,OH 3.36 10 2.6985 28 3.1387 37 2.6905 47 2.6173 50 3.298 33 2.9085 36 3.2777 38 3.2652 39 2.3788 52 2.3788 53 50 O 3.312 7 2.6599 26 2.7271 28 2.631 44 2.6002 46 2.6406 47 2.6173 48 2.6173 49 51 O 3.312 8 2.6594 33 2.647 36 2.6173 39 2.6704 42 2.5849 44 2.6018 45 2.9349 30 3.2663 41 52 O ,O 3.312 9 2.6885 32 3.2546 35 2.9752 36 3.1802 39 3.0537 37 2.3788 48 2.3788 49 2.6201 55 2.7119 56 53 O ,O 3.312 9 2.6885 32 3.2546 35 2.9752 36 3.1802 39 3.0537 37 2.3788 48 2.3788 49 2.6201 55 2.7119 56 54 O 3.312 7 2.661 27 2.7169 29 2.6066 35 2.6924 40 2.6067 43 2.539 46 2.9731 30 55 O 3.312 8 2.6471 25 2.5421 43 2.6263 45 2.5985 56 2.696 32 3.2817 46 2.6201 52 2.6201 53 56 O 3.312 9 2.6468 23 3.1031 24 2.6399 38 3.3107 41 2.6497 47 2.5985 55 2.647 32 2.7119 52 2.7119 53 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 0 1 3.327 6.654 0.038 590.79 2 0.3 0.0 2 0 1 0 4.598 9.196 0.052 308.23 2 7.5 2.2 3 1 0 0 4.923 9.846 0.056 268.57 2 6.1 1.3 4 1 0 1 5.114 10.228 0.058 248.74 2 121.3 465.5 5 0 -1 1 5.612 11.225 0.063 206.13 2 32.9 28.4 6 1 1 0 5.627 11.253 0.064 205.08 2 139.2 505.5 7 0 1 1 5.746 11.493 0.065 196.53 2 18.8 8.8 8 1 1 1 5.86 11.719 0.066 188.91 2 26.3 16.7 9 0 0 2 6.666 13.331 0.075 145.48 2 30.0 16.7 10 -1 0 1 6.678 13.355 0.075 144.95 2 30.1 16.7 11 1 0 2 7.096 14.193 0.08 128.09 2 40.4 26.5 12 -1 -1 1 7.161 14.322 0.081 125.75 2 15.5 3.9 13 1 1 2 7.704 15.408 0.087 108.35 2 12.9 2.3 14 -1 1 0 7.704 15.408 0.087 108.34 2 14.4 2.9 15 1 -1 1 7.779 15.558 0.088 106.22 2 20.5 5.7 16 0 -1 2 8.015 16.029 0.091 99.94 2 3.4 0.1 17 0 1 2 8.203 16.407 0.093 95.29 2 31.5 12.0 18 -1 1 1 8.979 17.957 0.101 79.18 2 60.0 36.2 19 1 2 0 9.045 18.089 0.102 78.0 2 44.4 19.5 20 1 -1 2 9.172 18.344 0.103 75.79 2 29.2 8.2 21 2 1 1 9.198 18.396 0.104 75.34 2 128.0 157.1 22 0 2 0 9.226 18.452 0.104 74.88 2 89.0 75.4 23 1 2 1 9.235 18.469 0.104 74.73 2 35.5 12.0 24 -1 0 2 9.354 18.707 0.105 72.79 2 11.0 1.1 25 2 0 1 9.502 19.004 0.107 70.46 2 0.9 0.0 26 2 1 0 9.551 19.101 0.108 69.73 2 6.6 0.4 27 -1 -1 2 9.668 19.335 0.109 68.0 2 43.2 16.1 28 0 -2 1 9.739 19.477 0.11 66.98 2 54.6 25.4 29 1 0 3 9.859 19.717 0.111 65.31 2 35.3 10.3 30 2 0 0 9.883 19.767 0.111 64.97 2 31.2 8.0 31 0 2 1 9.896 19.791 0.112 64.8 2 3.5 0.1 32 2 1 2 10.026 20.052 0.113 63.07 2 12.7 1.3 33 0 0 3 10.027 20.054 0.113 63.06 2 26.4 5.6 34 -1 -2 1 10.043 20.085 0.113 62.85 2 7.0 0.4 35 2 0 2 10.269 20.538 0.116 60.02 2 119.5 109.0 36 1 1 3 10.346 20.692 0.117 59.1 2 41.9 13.2 37 1 2 2 10.551 21.102 0.119 56.74 2 23.0 3.8 38 0 -1 3 10.945 21.89 0.123 52.58 2 81.3 44.1 39 -2 -1 1 10.975 21.95 0.124 52.28 2 27.0 4.9 40 2 2 1 11.045 22.09 0.124 51.59 2 30.4 6.0 41 0 1 3 11.155 22.311 0.126 50.54 2 59.1 22.4 42 -1 1 2 11.163 22.326 0.126 50.47 2 16.2 1.7 43 0 -2 2 11.28 22.559 0.127 49.38 2 70.4 31.2 44 -2 0 1 11.302 22.603 0.127 49.18 2 90.1 50.8 45 2 2 0 11.308 22.617 0.127 49.12 2 122.3 93.5 46 1 -1 3 11.424 22.848 0.129 48.09 2 61.9 23.4 47 0 2 2 11.551 23.103 0.13 46.99 2 42.1 10.6 48 -1 2 0 11.744 23.488 0.132 45.39 2 46.4 12.4 49 1 -2 1 11.761 23.523 0.132 45.25 2 98.6 55.9 50 2 2 2 11.782 23.564 0.133 45.09 2 82.9 39.4 51 2 1 3 11.798 23.596 0.133 44.96 2 11.6 0.8 52 2 -1 1 11.798 23.597 0.133 44.96 2 94.1 50.6 53 -1 -2 2 11.946 23.891 0.134 43.8 2 109.8 67.2 54 2 0 3 11.974 23.949 0.135 43.58 2 33.1 6.1 55 -2 1 0 12.143 24.285 0.137 42.33 2 19.5 2.1 56 -1 0 3 12.391 24.782 0.139 40.57 2 49.2 12.5 57 2 -1 2 12.399 24.798 0.139 40.51 2 79.7 32.8 58 -2 -2 1 12.512 25.024 0.141 39.74 2 14.0 1.0 59 -1 -1 3 12.602 25.204 0.142 39.15 2 55.4 15.3 60 1 2 3 12.661 25.323 0.142 38.76 2 96.5 45.9 61 -1 2 1 12.662 25.323 0.142 38.76 2 16.2 1.3 62 1 -2 2 12.71 25.419 0.143 38.45 2 45.3 10.0 63 1 0 4 12.935 25.869 0.145 37.06 2 25.3 3.0 64 -2 -1 2 13.142 26.284 0.148 35.83 2 22.3 2.3 65 1 3 0 13.267 26.534 0.149 35.12 2 95.1 40.4 66 1 1 4 13.345 26.689 0.15 34.69 2 50.4 11.2 67 2 2 3 13.363 26.726 0.15 34.59 2 4.0 0.1 68 -2 1 1 13.363 26.727 0.15 34.59 2 141.0 87.4 69 0 0 4 13.423 26.847 0.151 34.26 2 6.7 0.2 70 1 3 1 13.429 26.858 0.151 34.23 2 5.6 0.1 71 -2 0 2 13.448 26.896 0.151 34.13 2 14.2 0.9 72 0 -2 3 13.518 27.036 0.152 33.76 2 7.8 0.3 73 3 1 1 13.615 27.23 0.153 33.25 2 130.2 71.7 74 2 -1 3 13.83 27.66 0.155 32.16 2 6.0 0.1 75 -1 1 3 13.854 27.709 0.155 32.04 2 37.6 5.8 76 3 1 2 13.86 27.719 0.155 32.02 2 239.9 234.4 77 0 2 3 13.862 27.724 0.156 32.0 2 37.8 5.8 78 0 3 0 13.916 27.832 0.156 31.74 2 8.2 0.3 79 -1 -3 1 13.952 27.904 0.157 31.57 2 77.6 24.2 80 0 -1 4 14.106 28.212 0.158 30.84 2 42.1 7.0 81 1 -1 4 14.153 28.307 0.159 30.62 2 104.0 42.1 82 2 1 4 14.183 28.366 0.159 30.48 2 16.1 1.0 83 3 1 0 14.2 28.4 0.159 30.41 2 29.8 3.4 84 0 -3 1 14.241 28.482 0.16 30.22 2 76.4 22.4 85 2 3 1 14.264 28.528 0.16 30.12 2 180.0 124.1 86 2 0 4 14.305 28.609 0.16 29.93 2 90.5 31.2 87 0 1 4 14.328 28.655 0.161 29.83 2 50.5 9.7 88 3 0 1 14.334 28.667 0.161 29.8 2 16.8 1.1 89 -1 2 2 14.347 28.693 0.161 29.75 2 70.3 18.7 90 0 3 1 14.406 28.812 0.161 29.49 2 18.4 1.3 91 1 3 2 14.412 28.823 0.162 29.46 2 53.3 10.6 92 1 -2 3 14.418 28.836 0.162 29.43 2 107.3 43.1 93 -1 -2 3 14.42 28.839 0.162 29.43 2 60.3 13.6 94 -2 -2 2 14.437 28.873 0.162 29.35 2 217.7 176.9 95 2 3 0 14.445 28.89 0.162 29.32 2 129.8 62.9 96 3 2 1 14.464 28.927 0.162 29.24 2 346.7 446.8 97 3 0 2 14.54 29.08 0.163 28.91 2 152.7 85.7 98 3 2 2 14.722 29.444 0.165 28.15 2 21.9 1.7 99 2 3 2 14.878 29.756 0.167 27.52 2 53.8 10.1 100 3 1 3 14.897 29.793 0.167 27.45 2 98.3 33.7 101 3 0 0 14.92 29.839 0.167 27.36 2 65.8 15.1 102 3 2 0 14.992 29.984 0.168 27.08 2 73.1 18.4 103 2 -2 1 15.253 30.506 0.171 26.09 2 40.6 5.5 104 1 2 4 15.262 30.524 0.171 26.06 2 78.3 20.3 105 -2 1 2 15.266 30.533 0.171 26.04 2 74.2 18.2 106 0 -3 2 15.334 30.668 0.172 25.8 2 5.0 0.1 107 -1 -3 2 15.379 30.758 0.172 25.63 2 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13.4 129 3 -1 1 16.432 32.865 0.184 22.22 2 25.0 1.8 130 1 1 5 16.538 33.077 0.185 21.91 2 556.1 861.8 131 -2 2 1 16.565 33.131 0.185 21.84 2 513.4 731.9 132 0 2 4 16.581 33.163 0.185 21.79 2 9.8 0.3 133 -1 2 3 16.586 33.173 0.185 21.78 2 20.7 1.2 134 3 1 4 16.591 33.182 0.185 21.76 2 82.4 18.8 135 3 -1 2 16.591 33.182 0.185 21.76 2 152.5 64.3 136 3 3 1 16.662 33.323 0.186 21.56 2 74.9 15.4 137 1 -2 4 16.674 33.348 0.186 21.53 2 58.3 9.3 138 -1 1 4 16.841 33.682 0.188 21.07 2 18.0 0.9 139 2 -2 3 16.857 33.713 0.188 21.02 2 2.5 0.0 140 -2 -2 3 16.859 33.719 0.188 21.02 2 52.7 7.4 141 0 0 5 16.869 33.738 0.188 20.99 2 207.3 114.7 142 1 -3 2 16.874 33.748 0.188 20.98 2 17.5 0.8 143 -1 3 1 16.908 33.816 0.189 20.89 2 230.5 141.1 144 3 3 2 16.914 33.827 0.189 20.87 2 18.2 0.9 145 2 1 5 16.951 33.902 0.189 20.77 2 20.4 1.1 146 -3 1 0 16.976 33.953 0.19 20.7 2 26.8 1.9 147 -2 -3 2 16.999 33.998 0.19 20.64 2 75.8 15.1 148 2 0 5 17.031 34.062 0.19 20.56 2 33.2 2.9 149 0 -3 3 17.061 34.123 0.19 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27.377 54.753 0.298 7.1 2 131.2 15.5 555 3 5 5 27.443 54.887 0.299 7.06 2 32.2 0.9 556 -3 1 5 27.445 54.89 0.299 7.06 2 2.6 0.0 557 -2 -3 6 27.471 54.942 0.299 7.04 2 85.8 6.6 558 2 2 8 27.492 54.983 0.3 7.03 2 42.0 1.6 559 3 -4 1 27.509 55.018 0.3 7.02 2 4.6 0.0 560 2 -1 8 27.51 55.021 0.3 7.02 2 125.1 14.0 561 1 6 0 27.53 55.06 0.3 7.01 2 81.9 6.0 562 4 4 6 27.532 55.064 0.3 7.01 2 42.4 1.6 563 -4 2 2 27.533 55.065 0.3 7.01 2 3.7 0.0 564 3 -4 2 27.566 55.132 0.3 6.99 2 111.7 11.1 565 -4 -4 3 27.612 55.224 0.301 6.96 2 16.4 0.2 566 3 0 8 27.621 55.241 0.301 6.96 2 57.2 2.9 567 -2 4 3 27.661 55.322 0.301 6.93 2 68.5 4.1 568 0 0 8 27.664 55.329 0.301 6.93 2 8.0 0.1 569 1 6 1 27.667 55.334 0.301 6.93 2 53.8 2.5 570 4 -3 2 27.668 55.335 0.301 6.93 2 51.4 2.3 571 2 6 2 27.677 55.354 0.302 6.93 2 45.4 1.8 572 -3 -5 3 27.71 55.42 0.302 6.91 2 10.3 0.1 573 -4 0 4 27.719 55.437 0.302 6.9 2 40.6 1.4 574 4 3 7 27.788 55.576 0.303 6.86 2 17.0 0.3 575 4 -3 1 27.789 55.577 0.303 6.86 2 7.2 0.0 576 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28.536 57.073 0.31 6.46 2 69.6 4.0 620 2 6 3 28.549 57.097 0.31 6.46 2 64.6 3.4 621 -4 -5 2 28.549 57.099 0.31 6.45 2 58.1 2.8 622 2 -5 1 28.559 57.119 0.31 6.45 2 11.2 0.1 623 4 -2 6 28.56 57.12 0.31 6.45 2 52.3 2.2 624 3 -3 6 28.567 57.134 0.31 6.45 2 90.0 6.6 625 -5 1 1 28.589 57.179 0.311 6.43 2 80.5 5.3 626 4 5 5 28.598 57.197 0.311 6.43 2 64.4 3.4 627 6 3 2 28.601 57.202 0.311 6.43 2 46.5 1.8 628 -1 2 7 28.605 57.209 0.311 6.43 2 70.0 4.0 629 -2 2 6 28.614 57.229 0.311 6.42 2 166.0 22.5 630 6 2 4 28.626 57.251 0.311 6.42 2 15.8 0.2 631 0 4 6 28.631 57.262 0.311 6.41 2 213.7 37.2 632 -1 4 5 28.635 57.269 0.311 6.41 2 86.0 6.0 633 -1 -6 2 28.653 57.307 0.311 6.4 2 9.9 0.1 634 6 3 3 28.656 57.311 0.311 6.4 2 285.2 66.2 635 -2 -1 7 28.658 57.316 0.311 6.4 2 15.0 0.2 636 -3 -1 6 28.674 57.349 0.311 6.39 2 62.4 3.2 637 5 5 1 28.719 57.438 0.312 6.37 2 55.5 2.5 638 1 -2 8 28.727 57.454 0.312 6.37 2 418.6 141.8 639 -1 5 3 28.73 57.459 0.312 6.36 2 16.9 0.2 640 2 4 7 28.747 57.494 0.312 6.35 2 51.0 2.1 641 0 6 0 28.75 57.5 0.312 6.35 2 60.3 2.9 642 3 6 3 28.779 57.559 0.313 6.34 2 2.8 0.0 643 3 4 7 28.787 57.575 0.313 6.33 2 34.9 1.0 644 -3 4 1 28.788 57.576 0.313 6.33 2 21.3 0.4 645 -2 5 0 28.788 57.576 0.313 6.33 2 81.1 5.3 646 2 -5 2 28.789 57.579 0.313 6.33 2 395.1 125.7 647 3 -1 8 28.798 57.596 0.313 6.33 2 11.8 0.1 648 5 5 3 28.812 57.624 0.313 6.32 2 45.4 1.7 649 4 -3 4 28.818 57.635 0.313 6.32 2 45.3 1.6 650 -1 -3 7 28.821 57.642 0.313 6.32 2 290.6 67.8 651 -2 -6 2 28.83 57.66 0.313 6.31 2 27.2 0.6 652 -3 -6 1 28.846 57.693 0.313 6.31 2 8.9 0.1 653 0 -6 1 28.885 57.77 0.314 6.29 2 286.6 65.6 654 6 1 1 28.887 57.774 0.314 6.29 2 18.9 0.3 655 -2 0 7 28.898 57.797 0.314 6.28 2 67.2 3.6 656 2 -3 7 28.899 57.798 0.314 6.28 2 6.0 0.0 657 6 1 4 28.956 57.913 0.314 6.25 2 18.8 0.3 658 6 3 1 29.004 58.007 0.315 6.23 2 39.0 1.2 659 -3 -2 6 29.038 58.076 0.315 6.21 2 101.2 8.1 660 4 1 8 29.047 58.095 0.315 6.21 2 6.2 0.0 661 3 -4 4 29.065 58.131 0.315 6.2 2 36.1 1.0 662 0 6 1 29.072 58.143 0.315 6.2 2 26.1 0.5 663 5 -2 2 29.085 58.169 0.316 6.19 2 5.0 0.0 664 6 3 4 29.166 58.332 0.316 6.15 2 59.8 2.8 665 0 -2 8 29.172 58.344 0.316 6.15 2 76.6 4.6 666 -3 0 6 29.181 58.363 0.316 6.14 2 86.4 5.8 667 2 3 8 29.247 58.494 0.317 6.11 2 87.6 6.0 668 5 2 7 29.248 58.497 0.317 6.11 2 44.1 1.5 669 5 1 7 29.249 58.497 0.317 6.11 2 16.2 0.2 670 5 -2 3 29.249 58.498 0.317 6.11 2 100.3 7.8 671 -5 -2 3 29.253 58.507 0.317 6.11 2 65.1 3.3 672 0 -5 5 29.274 58.549 0.317 6.1 2 2.4 0.0 673 2 -2 8 29.277 58.554 0.317 6.1 2 6.0 0.0 674 -2 -2 7 29.287 58.575 0.318 6.09 2 40.3 1.3 675 -1 -5 5 29.302 58.604 0.318 6.09 2 65.1 3.3 676 1 6 3 29.316 58.632 0.318 6.08 2 67.6 3.5 677 4 2 8 29.344 58.687 0.318 6.07 2 104.5 8.4 678 5 5 0 29.355 58.71 0.318 6.06 2 186.2 26.7 679 -3 -4 5 29.36 58.72 0.318 6.06 2 8.8 0.1 680 -4 1 4 29.361 58.722 0.318 6.06 2 15.3 0.2 681 5 -2 1 29.373 58.747 0.318 6.05 2 51.0 2.0 682 3 3 8 29.38 58.76 0.318 6.05 2 4.6 0.0 683 6 2 0 29.381 58.762 0.318 6.05 2 50.4 2.0 684 -4 3 1 29.403 58.807 0.319 6.04 2 5.5 0.0 685 -5 -1 3 29.408 58.816 0.319 6.04 2 43.5 1.5 686 -2 5 1 29.468 58.936 0.319 6.01 2 19.7 0.3 687 2 -5 3 29.471 58.941 0.319 6.01 2 7.0 0.0 688 0 -6 2 29.472 58.944 0.319 6.01 2 41.4 1.3 689 -4 2 3 29.477 58.953 0.319 6.01 2 59.6 2.7 690 3 5 6 29.484 58.968 0.319 6.0 2 8.8 0.1 691 4 6 1 29.501 59.002 0.32 5.99 2 27.1 0.6 692 4 6 2 29.523 59.047 0.32 5.98 2 18.6 0.3 693 -5 -4 2 29.527 59.054 0.32 5.98 2 26.8 0.5 694 2 5 6 29.537 59.074 0.32 5.98 2 64.6 3.2 695 5 5 4 29.538 59.076 0.32 5.98 2 58.6 2.6 696 6 2 5 29.573 59.145 0.32 5.96 2 15.5 0.2 697 4 0 8 29.614 59.228 0.321 5.94 2 41.6 1.3 698 0 2 8 29.665 59.33 0.321 5.92 2 19.0 0.3 699 6 0 2 29.679 59.358 0.321 5.91 2 28.5 0.6 700 -1 0 8 29.684 59.368 0.321 5.91 2 34.0 0.9 701 6 0 3 29.686 59.373 0.321 5.91 2 79.1 4.7 702 -3 2 5 29.694 59.389 0.322 5.91 2 135.6 13.8 703 1 4 7 29.698 59.395 0.322 5.91 2 108.6 8.9 704 -2 4 4 29.708 59.415 0.322 5.9 2 13.4 0.1 705 -1 -1 8 29.711 59.422 0.322 5.9 2 34.0 0.9 706 -4 -1 5 29.759 59.519 0.322 5.88 2 19.5 0.3 707 6 1 0 29.768 59.536 0.322 5.87 2 95.2 6.8 708 5 4 6 29.769 59.537 0.322 5.87 2 92.9 6.4 709 -3 -5 4 29.802 59.604 0.323 5.86 2 13.1 0.1 710 4 4 7 29.816 59.632 0.323 5.85 2 61.5 2.8 711 0 6 2 29.84 59.68 0.323 5.84 2 22.3 0.4 712 5 -1 6 29.846 59.693 0.323 5.84 2 76.8 4.4 713 6 3 0 29.852 59.704 0.323 5.84 2 91.0 6.1 714 2 6 4 29.853 59.705 0.323 5.84 2 70.9 3.7 715 -4 -2 5 29.853 59.706 0.323 5.84 2 24.8 0.5 716 5 -2 4 29.862 59.723 0.323 5.83 2 3.3 0.0 717 2 -4 6 29.867 59.734 0.323 5.83 2 39.6 1.2 718 -2 -4 6 29.87 59.741 0.323 5.83 2 4.2 0.0 719 -1 -6 3 29.879 59.759 0.323 5.83 2 98.2 7.1 720 6 1 5 29.882 59.763 0.323 5.82 2 19.7 0.3 721 3 6 4 29.892 59.785 0.324 5.82 2 35.1 0.9 722 -4 -4 4 29.909 59.818 0.324 5.81 2 34.7 0.9 723 4 6 0 29.927 59.855 0.324 5.8 2 25.4 0.5 724 -5 -3 3 29.957 59.914 0.324 5.79 2 100.2 7.4 725 6 4 2 29.969 59.938 0.324 5.79 2 34.7 0.9 726 -3 -6 2 29.991 59.981 0.324 5.78 2 31.6 0.7 727 4 6 3 29.993 59.987 0.324 5.78 2 116.9 10.0 728 -2 1 7 29.996 59.991 0.325 5.78 2 7.8 0.0 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 1 5.114 10.228 8.64161 465.5 29.2 29.7 5.6 2 1 1 0 5.627 11.253 7.85643 533.8 33.5 34.0 5.6 3 1 1 1 5.86 11.719 7.54488 16.7 1.0 1.1 5.6 4 -1 0 1 6.678 13.355 6.62423 33.4 2.1 2.1 5.6 5 1 0 2 7.096 14.193 6.23513 26.5 1.7 1.7 5.6 6 -1 1 1 8.979 17.957 4.93556 36.2 2.3 2.3 5.6 7 1 2 0 9.045 18.089 4.89987 19.5 1.2 1.2 5.6 8 2 1 1 9.198 18.396 4.81882 165.3 10.4 10.5 5.6 9 0 2 0 9.226 18.452 4.80434 87.4 5.5 5.5 5.6 10 -1 -1 2 9.668 19.335 4.58681 16.1 1.0 1.0 5.6 11 0 -2 1 9.739 19.477 4.55368 25.4 1.6 1.6 5.6 12 1 0 3 9.859 19.717 4.49888 18.4 1.2 1.2 5.6 13 2 0 2 10.269 20.538 4.3208 109.0 6.8 6.9 5.6 14 0 -1 3 10.945 21.89 4.05691 44.1 2.8 2.8 5.6 15 0 1 3 11.155 22.311 3.98137 24.1 1.5 1.5 5.6 16 2 2 0 11.308 22.617 3.92822 175.4 11.0 11.1 5.6 17 1 -1 3 11.424 22.848 3.88903 23.4 1.5 1.5 5.6 18 1 -2 1 11.761 23.523 3.77895 68.3 4.3 4.3 5.6 19 2 -1 1 11.798 23.597 3.76726 90.8 5.7 5.7 5.6 20 -1 -2 2 11.946 23.891 3.72147 67.2 4.2 4.2 5.6 21 2 -1 2 12.399 24.798 3.58736 45.2 2.8 2.9 5.6 22 1 2 3 12.661 25.323 3.51422 47.2 3.0 3.0 5.6 23 1 3 0 13.267 26.534 3.35646 40.4 2.5 2.6 5.6 24 -2 1 1 13.363 26.727 3.33272 98.7 6.2 6.2 5.6 25 3 1 1 13.615 27.23 3.2723 71.7 4.5 4.5 5.6 26 0 2 3 13.862 27.724 3.21506 245.9 15.4 15.5 5.6 27 -1 -3 1 13.952 27.904 3.19477 24.2 1.5 1.5 5.6 28 1 -1 4 14.153 28.307 3.1502 42.1 2.6 2.7 5.6 29 2 3 1 14.264 28.528 3.12627 146.5 9.2 9.2 5.6 30 2 0 4 14.305 28.609 3.11756 40.9 2.6 2.6 5.6 31 -1 2 2 14.347 28.693 3.10863 19.8 1.2 1.2 5.6 32 -1 -2 3 14.42 28.839 3.09325 68.6 4.3 4.3 5.6 33 3 2 1 14.464 28.927 3.084 686.5 43.1 43.2 5.6 34 3 0 2 14.54 29.08 3.06812 85.7 5.4 5.4 5.6 35 3 1 3 14.897 29.793 2.99632 58.9 3.7 3.7 5.6 36 3 2 0 14.992 29.984 2.97765 18.4 1.2 1.2 5.6 37 -2 1 2 15.266 30.533 2.9254 44.0 2.8 2.8 5.6 38 -1 -3 2 15.379 30.758 2.90445 307.5 19.3 19.3 5.6 39 3 0 3 15.51 31.02 2.88054 27.3 1.7 1.7 5.6 40 2 3 3 16.205 32.41 2.76013 22.6 1.4 1.4 5.6 41 -3 -2 1 16.238 32.476 2.75467 18.2 1.1 1.1 5.6 42 1 1 5 16.538 33.077 2.70601 1593.6 100.0 100.0 5.6 43 3 -1 2 16.591 33.182 2.69762 84.3 5.3 5.3 5.6 44 3 3 1 16.662 33.323 2.68652 24.7 1.6 1.6 5.7 45 0 0 5 16.869 33.738 2.65446 123.0 7.7 7.7 5.7 46 -1 3 1 16.908 33.816 2.64849 142.0 8.9 8.9 5.7 47 -2 -3 2 16.999 33.998 2.63477 18.1 1.1 1.1 5.7 48 0 -3 3 17.061 34.123 2.6254 283.3 17.8 17.8 5.7 49 3 0 4 17.127 34.253 2.6157 49.8 3.1 3.1 5.7 50 -1 -3 3 17.385 34.77 2.57803 16.3 1.0 1.0 5.7 51 4 2 2 18.645 37.289 2.40941 32.1 2.0 2.0 5.7 52 -2 -1 4 18.701 37.402 2.40237 31.5 2.0 2.0 5.7 53 1 4 2 18.739 37.479 2.39765 36.1 2.3 2.3 5.7 54 3 -1 4 18.885 37.77 2.37982 133.5 8.4 8.3 5.7 55 2 4 3 19.841 39.682 2.26946 322.9 20.3 20.1 5.7 56 2 1 6 19.976 39.952 2.25474 145.8 9.2 9.1 5.7 57 -3 2 0 20.008 40.016 2.2513 187.1 11.7 11.7 5.7 58 4 1 4 20.069 40.138 2.2447 63.7 4.0 4.0 5.7 59 -2 -4 2 20.412 40.824 2.20859 322.6 20.2 20.1 5.7 60 -1 -4 3 21.082 42.164 2.14141 52.8 3.3 3.3 5.7 61 -3 -4 1 21.115 42.23 2.13822 54.7 3.4 3.4 5.7 62 -4 0 1 21.335 42.67 2.11721 24.7 1.6 1.5 5.7 63 3 0 6 21.754 43.507 2.07838 34.3 2.2 2.1 5.7 64 3 2 6 22.035 44.069 2.05316 334.3 21.0 20.8 5.7 65 -3 -1 4 22.513 45.026 2.01175 16.3 1.0 1.0 5.7 66 -1 -3 5 22.574 45.148 2.00659 18.6 1.2 1.2 5.7 67 -1 -5 1 22.957 45.915 1.97484 26.1 1.6 1.6 5.7 68 3 -2 5 23.354 46.709 1.9431 34.6 2.2 2.1 5.7 69 2 4 5 23.561 47.122 1.92702 28.9 1.8 1.8 5.7 70 0 0 7 23.97 47.94 1.89605 16.8 1.1 1.0 5.7 71 3 4 5 24.04 48.079 1.89086 27.2 1.7 1.7 5.7 72 4 -1 5 24.218 48.437 1.87774 47.3 3.0 2.9 5.7 73 4 -2 3 24.537 49.073 1.85486 27.9 1.7 1.7 5.7 74 3 5 3 24.573 49.147 1.85227 22.5 1.4 1.4 5.7 75 0 5 2 24.837 49.675 1.83382 21.4 1.3 1.3 5.7 76 5 0 0 25.411 50.821 1.79509 43.2 2.7 2.7 5.8 77 0 -2 7 25.661 51.322 1.77876 28.2 1.8 1.7 5.8 78 1 -5 1 25.721 51.442 1.77487 31.1 2.0 1.9 5.8 79 -2 -5 3 25.982 51.964 1.75827 28.6 1.8 1.8 5.8 80 -1 -1 7 26.029 52.057 1.75535 38.5 2.4 2.4 5.8 81 3 4 6 26.246 52.491 1.74185 18.5 1.2 1.1 5.8 82 -1 5 1 26.294 52.588 1.73888 26.9 1.7 1.7 5.8 83 5 0 5 26.467 52.934 1.72832 28.8 1.8 1.8 5.8 84 5 -1 1 26.611 53.223 1.71962 149.1 9.4 9.2 5.8 85 -4 -5 1 27.155 54.309 1.68775 235.3 14.8 14.4 5.8 86 4 5 4 27.191 54.382 1.68567 52.0 3.3 3.2 5.8 87 2 -1 8 27.51 55.021 1.6676 21.5 1.4 1.3 5.8 88 -3 4 0 27.921 55.841 1.64503 24.8 1.6 1.5 5.8 89 -1 3 6 27.963 55.926 1.64273 286.1 18.0 17.5 5.8 90 -2 3 5 28.516 57.032 1.61349 32.7 2.1 2.0 5.8 91 -2 2 6 28.614 57.229 1.60839 31.9 2.0 1.9 5.8 92 6 3 3 28.656 57.311 1.60627 112.9 7.1 6.9 5.8 93 1 -2 8 28.727 57.454 1.60264 149.6 9.4 9.1 5.8 94 2 -5 2 28.789 57.579 1.59945 132.8 8.3 8.1 5.8 95 -1 -3 7 28.821 57.642 1.59785 70.2 4.4 4.3 5.8 96 0 -6 1 28.885 57.77 1.59461 69.6 4.4 4.2 5.8 97 5 -2 3 29.249 58.498 1.57649 18.8 1.2 1.1 5.8 98 5 5 0 29.355 58.71 1.57129 39.3 2.5 2.4 5.8 99 1 4 7 29.698 59.395 1.55479 28.4 1.8 1.7 5.8 100 6 3 0 29.852 59.704 1.5475 24.2 1.5 1.5 5.8 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) |