#------------------------------------------------------------------------------ #$Date: 2013-05-09 16:53:25 +0300 (Thu, 09 May 2013) $ #$Revision: 86000 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/59/9015974.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_9015974 loop_ _publ_author_name 'Dodony, I.' 'Posfai, M.' 'Buseck, P. R.' _publ_section_title ; Revised structure models for antigorite: An HRTEM study Note: n = 14 ; _journal_name_full 'American Mineralogist' _journal_page_first 1443 _journal_page_last 1457 _journal_volume 87 _journal_year 2002 _chemical_formula_sum 'Mg39 O120 Si28' _chemical_name_mineral Antigorite-T _space_group_IT_number 1 _symmetry_space_group_name_Hall 'P 1' _symmetry_space_group_name_H-M 'P 1' _cell_angle_alpha 112.94 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 35.02 _cell_length_b 9.23 _cell_length_c 7.89 _cell_volume 2348.625 _database_code_amcsd 0019083 _exptl_crystal_density_diffrn 2.584 _[local]_cod_cif_authors_sg_H-M 'P 1 1 1' _[local]_cod_chemical_formula_sum_orig 'Mg39 Si28 O120' _cod_database_code 9015974 loop_ _space_group_symop_operation_xyz x,y,z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Mg1 0.93232 3.12810 0.43846 Mg2 0.99532 0.82533 0.47601 Mg3 0.93217 0.64643 0.43835 Mg4 0.99518 0.15893 0.47585 Mg5 0.77562 0.29014 0.37044 Mg6 0.85421 0.79724 0.39174 Mg7 0.77548 0.62378 0.37042 Mg8 0.85406 0.13087 0.39167 Mg9 0.61845 0.30146 0.40439 Mg10 0.69692 0.79155 0.37466 Mg11 0.61830 0.63513 0.40447 Mg12 0.69677 0.12521 0.37469 Mg13 0.54058 0.81982 0.45948 Mg14 0.54043 0.15351 0.45961 Mg15 0.06768 0.84285 0.52857 Mg16 0.06783 0.17654 0.52868 Mg17 0.22438 0.86552 0.59659 Mg18 0.14579 0.35843 0.57529 Mg19 0.38155 0.85421 0.56264 Mg20 0.30308 0.36412 0.59237 Mg21 0.22452 0.19918 0.59661 Mg22 0.14594 0.69210 0.57536 Mg23 0.38170 0.18783 0.56256 Mg24 0.30323 0.69776 0.59234 Mg25 0.45942 0.33584 0.50755 Mg26 0.45957 0.66945 0.50742 Mg27 0.93217 0.97913 0.43835 Mg28 0.99518 0.49163 0.47585 Mg29 0.77548 0.95648 0.37042 Mg30 0.85406 0.46357 0.39167 Mg31 0.61830 0.96783 0.40447 Mg32 0.69677 0.45791 0.37469 Mg33 0.54043 0.48621 0.45961 Mg34 0.06783 0.50924 0.52868 Mg35 0.22452 0.53188 0.59661 Mg36 0.14594 0.02480 0.57536 Mg37 0.38170 0.52053 0.56256 Mg38 0.30323 0.03046 0.59234 Mg39 0.45957 0.00215 0.50742 Si1 0.89531 0.26969 0.80908 Si2 0.96750 0.12272 0.86818 Si3 0.74929 0.58721 0.76164 Si4 0.82247 0.09116 0.77351 Si5 0.60326 0.60302 0.80908 Si6 0.67611 0.09116 0.77351 Si7 0.53107 0.12272 0.86818 Si8 0.10469 0.21931 0.15795 Si9 0.03250 0.69961 0.09884 Si10 0.25071 0.23513 0.20539 Si11 0.17753 0.73117 0.19352 Si12 0.39674 0.21931 0.15795 Si13 0.32389 0.73117 0.19352 Si14 0.46893 0.69961 0.09885 Si15 0.89531 0.26969 0.80908 Si16 0.96750 0.78939 0.86818 Si17 0.74929 0.25387 0.76164 Si18 0.82247 0.75783 0.77351 Si19 0.60326 0.26969 0.80908 Si20 0.67611 0.75783 0.77351 Si21 0.53107 0.78939 0.86818 Si22 0.10469 0.88598 0.15795 Si23 0.03250 0.36628 0.09885 Si24 0.25071 0.90179 0.20539 Si25 0.17753 0.39783 0.19352 Si26 0.39674 0.88598 0.15795 Si27 0.32389 0.39783 0.19352 Si28 0.46893 0.36628 0.09885 O1 0.89174 0.46255 0.88768 O2 0.96284 0.98181 0.94544 O3 0.88433 0.24577 0.23732 O4 0.96452 0.76471 0.29415 O5 0.97712 0.38068 0.64205 O6 0.90175 0.86011 0.58035 O7 0.92939 0.71741 0.91531 O8 0.96423 0.43193 0.29390 O9 0.88403 0.91301 0.23716 O10 0.90150 0.52968 0.58907 O11 0.97675 0.05022 0.65067 O12 0.00001 0.24072 0.98522 O13 0.74793 0.44727 0.84184 O14 0.82000 0.95102 0.85309 O15 0.72246 0.23405 0.20216 O16 0.80351 0.73553 0.20661 O17 0.82569 0.34773 0.54321 O18 0.74929 0.84360 0.53081 O19 0.78601 0.69393 0.84487 O20 0.80322 0.40281 0.20654 O21 0.72216 0.90136 0.20219 O22 0.74929 0.51320 0.53961 O23 0.82557 0.01732 0.55199 O24 0.85795 0.20180 0.86846 O25 0.60415 0.46314 0.88943 O26 0.67588 0.95132 0.85397 O27 0.56108 0.25733 0.27202 O28 0.64152 0.74133 0.22400 O29 0.67288 0.34773 0.54321 O30 0.59682 0.86011 0.58035 O31 0.64197 0.70158 0.86780 O32 0.64123 0.40867 0.22413 O33 0.56079 0.92471 0.27225 O34 0.59707 0.52968 0.58907 O35 0.67300 0.01732 0.55199 O36 0.71391 0.19386 0.84465 O37 0.53309 0.98268 0.94806 O38 0.52146 0.38068 0.64205 O39 0.52182 0.05022 0.65067 O40 0.57052 0.21705 0.91422 O41 0.10826 0.02644 0.07935 O42 0.03716 0.50719 0.02158 O43 0.11567 0.90990 0.72971 O44 0.03548 0.39095 0.67287 O45 0.02288 0.77499 0.32497 O46 0.09825 0.29555 0.38668 O47 0.07061 0.26288 0.05171 O48 0.03577 0.05834 0.67313 O49 0.11597 0.57725 0.72987 O50 0.09850 0.95931 0.37796 O51 0.02325 0.43878 0.31635 O52 0.25207 0.04172 0.12519 O53 0.18000 0.53797 0.11394 O54 0.27754 0.92162 0.76487 O55 0.19649 0.42014 0.76042 O56 0.17431 0.80793 0.42382 O57 0.25071 0.31207 0.43622 O58 0.21399 0.28636 0.12216 O59 0.19678 0.08746 0.76049 O60 0.27784 0.58891 0.76484 O61 0.25071 0.97580 0.42742 O62 0.17443 0.47167 0.41504 O63 0.14205 0.77850 0.09857 O64 0.39585 0.02586 0.07760 O65 0.32412 0.53768 0.11306 O66 0.43892 0.89833 0.69500 O67 0.35848 0.41434 0.74303 O68 0.32712 0.80793 0.42382 O69 0.40318 0.29555 0.38668 O70 0.35803 0.27872 0.09922 O71 0.35877 0.08159 0.74290 O72 0.43921 0.56555 0.69478 O73 0.40293 0.95931 0.37796 O74 0.32700 0.47167 0.41504 O75 0.28609 0.78644 0.12238 O76 0.46691 0.50632 0.01897 O77 0.47854 0.77499 0.32497 O78 0.47818 0.43878 0.31635 O79 0.42948 0.76325 0.05280 O80 0.50012 0.24009 0.98333 O81 0.92939 0.22611 0.91531 O82 0.96423 0.09733 0.29390 O83 0.88403 0.57841 0.23716 O84 0.90150 0.19635 0.58907 O85 0.97675 0.71688 0.65067 O86 0.00001 0.74942 0.98522 O87 0.78601 0.20263 0.84487 O88 0.80322 0.06821 0.20654 O89 0.72216 0.56676 0.20219 O90 0.74929 0.17986 0.53961 O91 0.82557 0.68399 0.55199 O92 0.85795 0.71050 0.86846 O93 0.64197 0.21028 0.86780 O94 0.64123 0.07407 0.22413 O95 0.56079 0.59011 0.27225 O96 0.59707 0.19635 0.58907 O97 0.67300 0.68399 0.55199 O98 0.71391 0.70256 0.84465 O99 0.52182 0.71688 0.65067 O100 0.57052 0.72575 0.91422 O101 0.07061 0.77158 0.05171 O102 0.03577 0.72374 0.67313 O103 0.11597 0.24265 0.72987 O104 0.09850 0.62598 0.37796 O105 0.02325 0.10545 0.31635 O106 0.21399 0.79506 0.12216 O107 0.19678 0.75286 0.76049 O108 0.27784 0.25431 0.76484 O109 0.25071 0.64247 0.42742 O110 0.17443 0.13834 0.41504 O111 0.14205 0.28720 0.09857 O112 0.35803 0.78742 0.09922 O113 0.35877 0.74699 0.74290 O114 0.43921 0.23095 0.69478 O115 0.40293 0.62598 0.37796 O116 0.32700 0.13834 0.41504 O117 0.28609 0.29514 0.12238 O118 0.47818 0.10545 0.31635 O119 0.42948 0.27195 0.05280 O120 0.50012 0.74879 0.98333