data_HPM-18_B #*********************************************************************************************** # # CIF taken from the IZA-SC Database of Disordered Zeolite Structures # Ch. Baerlocher, L.B. McCusker, H. Gies und B. Marler # Database of Zeolite Structures: http://www.iza-structure.org/databases/ # # The atom coordinates and the cell parameters were optimized with DLS76 # assuming a pure SiO2 composition. # #*********************************************************************************************** _cell_length_a 39.61614 _cell_length_b 10.06207 _cell_length_c 14.84097 _cell_angle_alpha 89.42900 _cell_angle_beta 111.72000 _cell_angle_gamma 90.07500 _cell_volume ?? _symmetry_space_group_name_H-M 'P1' _symmetry_Int_Tables_number 1 _symmetry_cell_setting triclinic loop_ _symmetry_equiv_pos_as_xyz X,Y,Z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Si1 Si 0.54970 0.34900 0.67430 Si2 Si 0.54894 0.65489 0.67262 Si3 Si 0.04675 0.84962 0.67258 Si4 Si 0.04703 0.15564 0.67282 Si5 Si 0.58634 0.23274 0.88428 Si6 Si 0.58579 0.73335 0.88249 Si7 Si 0.08225 0.73357 0.88168 Si8 Si 0.08583 0.23783 0.88329 Si9 Si 0.56567 0.16513 0.21843 Si10 Si 0.56654 0.85730 0.22056 Si11 Si 0.06364 0.66564 0.21865 Si12 Si 0.06485 0.35881 0.21957 Si13 Si 0.62205 0.23227 0.40763 Si14 Si 0.62225 0.73525 0.40768 Si15 Si 0.11926 0.73019 0.40772 Si16 Si 0.12100 0.23206 0.40537 Si17 Si 0.48468 0.16051 0.20195 Si18 Si 0.48602 0.85268 0.20408 Si19 Si 0.98271 0.65882 0.20214 Si20 Si 0.98423 0.35197 0.20194 Si21 Si 0.46106 0.16756 0.98278 Si22 Si 0.46150 0.85807 0.98161 Si23 Si 0.95898 0.66614 0.98340 Si24 Si 0.96055 0.35766 0.98007 Si25 Si 0.54144 0.16686 0.99968 Si26 Si 0.54145 0.85779 0.99830 Si27 Si 0.03918 0.66911 0.00035 Si28 Si 0.04053 0.36082 0.99762 Si29 Si 0.46824 0.34334 0.54431 Si30 Si 0.46725 0.65250 0.54133 Si31 Si 0.96501 0.84850 0.54049 Si32 Si 0.96557 0.15648 0.54060 Si33 Si 0.56940 0.35098 0.49290 Si34 Si 0.56853 0.65452 0.49317 Si35 Si 0.06689 0.84766 0.49381 Si36 Si 0.06708 0.15209 0.49202 Si37 Si 0.48684 0.34931 0.36225 Si38 Si 0.48576 0.65598 0.36069 Si39 Si 0.98444 0.84978 0.36098 Si40 Si 0.98492 0.15599 0.35892 Si41 Si 0.39931 0.23467 0.79884 Si42 Si 0.40034 0.73511 0.79998 Si43 Si 0.89887 0.73614 0.79805 Si44 Si 0.90025 0.23944 0.79579 Si45 Si 0.71496 0.60390 0.34496 Si46 Si 0.21511 0.90408 0.34805 Si47 Si 0.68686 0.41077 0.85057 Si48 Si 0.18734 0.91479 0.84854 Si49 Si 0.71518 0.91102 0.34525 Si50 Si 0.21282 0.59993 0.34534 Si51 Si 0.40419 0.27266 0.59839 Si52 Si 0.40540 0.76844 0.60392 Si53 Si 0.90376 0.77915 0.60394 Si54 Si 0.90320 0.27778 0.59832 Si55 Si 0.68809 0.10507 0.85180 Si56 Si 0.18672 0.60681 0.84768 Si57 Si 0.69047 0.60605 0.12502 Si58 Si 0.19136 0.90814 0.12867 Si59 Si 0.76920 0.41441 0.98304 Si60 Si 0.26638 0.91406 0.96713 Si61 Si 0.26572 0.59878 0.96669 Si62 Si 0.77007 0.10778 0.98561 Si63 Si 0.70706 0.41299 0.67121 Si64 Si 0.20521 0.91200 0.66686 Si65 Si 0.29330 0.58787 0.36497 Si66 Si 0.79540 0.90876 0.36401 Si67 Si 0.28735 0.91569 0.79516 Si68 Si 0.78844 0.41929 0.80221 Si69 Si 0.77147 0.60616 0.14219 Si70 Si 0.26970 0.90879 0.15333 Si71 Si 0.70905 0.10557 0.67242 Si72 Si 0.20528 0.60875 0.66744 Si73 Si 0.26813 0.59202 0.15245 Si74 Si 0.77198 0.91259 0.14357 Si75 Si 0.69092 0.91135 0.12469 Si76 Si 0.18948 0.60060 0.12648 Si77 Si 0.29533 0.90053 0.36684 Si78 Si 0.79504 0.60019 0.36157 Si79 Si 0.28753 0.60595 0.79671 Si80 Si 0.79014 0.11045 0.80515 Si81 Si 0.35169 0.98604 0.74301 Si82 Si 0.85068 0.48534 0.74164 Si83 Si 0.67138 0.98303 0.46511 Si84 Si 0.16848 0.48272 0.46240 Si85 Si 0.63485 0.98198 0.93558 Si86 Si 0.13257 0.49132 0.93593 Si87 Si 0.35841 0.02112 0.54822 Si88 Si 0.85557 0.52934 0.54634 Si89 Si 0.35247 0.48759 0.74920 Si90 Si 0.85244 0.99110 0.74576 Si91 Si 0.67017 0.48354 0.45937 Si92 Si 0.16865 0.97959 0.45797 Si93 Si 0.35627 0.52494 0.54814 Si94 Si 0.85515 0.02843 0.54929 Si95 Si 0.63422 0.48316 0.94029 Si96 Si 0.13309 0.98043 0.93878 O1 O 0.55079 0.50170 0.70652 O2 O 0.56837 0.25661 0.76889 O3 O 0.50825 0.30330 0.61874 O4 O 0.57158 0.33228 0.60277 O5 O 0.56570 0.74755 0.76659 O6 O 0.50727 0.69573 0.61295 O7 O 0.57195 0.67322 0.60380 O8 O 0.04879 0.00206 0.70592 O9 O 0.06307 0.75374 0.76619 O10 O 0.00526 0.80794 0.61300 O11 O 0.06989 0.82998 0.60446 O12 O 0.06539 0.24645 0.76720 O13 O 0.00518 0.19724 0.61622 O14 O 0.06889 0.17331 0.60106 O15 O 0.55637 0.25662 0.93198 O16 O 0.60065 0.08166 0.90541 O17 O 0.61996 0.33217 0.93202 O18 O 0.55780 0.76916 0.93433 O19 O 0.62026 0.83132 0.92022 O20 O 0.59991 0.58259 0.90829 O21 O 0.05349 0.76150 0.93268 O22 O 0.09665 0.58280 0.90477 O23 O 0.11612 0.83314 0.92450 O24 O 0.05758 0.27397 0.93430 O25 O 0.11973 0.33857 0.91987 O26 O 0.10093 0.08867 0.91217 O27 O 0.57516 0.01136 0.24762 O28 O 0.59586 0.25617 0.29609 O29 O 0.52617 0.19828 0.21992 O30 O 0.56622 0.19142 0.11181 O31 O 0.59891 0.76951 0.29562 O32 O 0.52822 0.81888 0.22817 O33 O 0.56459 0.83219 0.11179 O34 O 0.07310 0.51224 0.24934 O35 O 0.09347 0.75785 0.29632 O36 O 0.02387 0.69905 0.21818 O37 O 0.06464 0.69054 0.11236 O38 O 0.09675 0.26903 0.29442 O39 O 0.02629 0.31761 0.22445 O40 O 0.06394 0.33793 0.11128 O41 O 0.59899 0.25563 0.47554 O42 O 0.63724 0.08217 0.42050 O43 O 0.65588 0.33311 0.43697 O44 O 0.59675 0.75142 0.46994 O45 O 0.65671 0.83240 0.45058 O46 O 0.63628 0.58389 0.41569 O47 O 0.09586 0.75065 0.47507 O48 O 0.13378 0.57932 0.41775 O49 O 0.15336 0.82990 0.44044 O50 O 0.09666 0.24447 0.47109 O51 O 0.15524 0.33045 0.44660 O52 O 0.13549 0.08183 0.40979 O53 O 0.48205 0.00619 0.22842 O54 O 0.46035 0.18871 0.08949 O55 O 0.47107 0.25371 0.26954 O56 O 0.46337 0.82948 0.09033 O57 O 0.47136 0.75511 0.26827 O58 O 0.98081 0.50447 0.22955 O59 O 0.95765 0.68343 0.08977 O60 O 0.96899 0.75262 0.26914 O61 O 0.96137 0.33093 0.08806 O62 O 0.96962 0.25363 0.26579 O63 O 0.45356 0.01325 0.95479 O64 O 0.50022 0.20830 0.98177 O65 O 0.43076 0.25838 0.90349 O66 O 0.49971 0.81728 0.97443 O67 O 0.42952 0.77216 0.90521 O68 O 0.95241 0.51257 0.95243 O69 O 0.99817 0.71085 0.98459 O70 O 0.92830 0.75769 0.90593 O71 O 0.99914 0.31684 0.97532 O72 O 0.92919 0.27066 0.90258 O73 O 0.54334 0.01299 0.97330 O74 O 0.04096 0.51628 0.97138 O75 O 0.46084 0.49770 0.55813 O76 O 0.46568 0.32138 0.43463 O77 O 0.43894 0.25289 0.56816 O78 O 0.46339 0.67799 0.43061 O79 O 0.43779 0.73976 0.56588 O80 O 0.95785 0.00246 0.55618 O81 O 0.96170 0.82728 0.43014 O82 O 0.93613 0.75623 0.56473 O83 O 0.96361 0.17951 0.43119 O84 O 0.93519 0.24587 0.55938 O85 O 0.57817 0.50360 0.47648 O86 O 0.52925 0.31527 0.41820 O87 O 0.52785 0.68947 0.42079 O88 O 0.07594 0.99971 0.47679 O89 O 0.02640 0.81281 0.42084 O90 O 0.02719 0.18997 0.41598 O91 O 0.48211 0.50281 0.32794 O92 O 0.98099 0.00289 0.32600 O93 O 0.41486 0.25113 0.71330 O94 O 0.38383 0.08695 0.80039 O95 O 0.36639 0.33790 0.78090 O96 O 0.41840 0.74208 0.71903 O97 O 0.36637 0.83612 0.76928 O98 O 0.38500 0.58800 0.80489 O99 O 0.91774 0.75554 0.71951 O100 O 0.88333 0.58735 0.79300 O101 O 0.86578 0.84005 0.77439 O102 O 0.91776 0.26144 0.71460 O103 O 0.86551 0.33594 0.77068 O104 O 0.88671 0.08805 0.79326 O105 O 0.71439 0.75698 0.37481 O106 O 0.68993 0.58591 0.23224 O107 O 0.75580 0.55849 0.36161 O108 O 0.69958 0.51186 0.41037 O109 O 0.21416 0.75136 0.38052 O110 O 0.18969 0.91923 0.23508 O111 O 0.25642 0.94571 0.36729 O112 O 0.19875 0.99725 0.40978 O113 O 0.67852 0.25716 0.86545 O114 O 0.72687 0.44813 0.92536 O115 O 0.68449 0.43261 0.74079 O116 O 0.65711 0.50184 0.87114 O117 O 0.18611 0.76033 0.87662 O118 O 0.22641 0.97587 0.91264 O119 O 0.18224 0.92646 0.73594 O120 O 0.15614 0.99617 0.86981 O121 O 0.75650 0.95320 0.36498 O122 O 0.69079 0.93154 0.23200 O123 O 0.69901 0.00113 0.40901 O124 O 0.25340 0.55078 0.36228 O125 O 0.18720 0.58930 0.23243 O126 O 0.19656 0.50754 0.40861 O127 O 0.37273 0.16913 0.54096 O128 O 0.38898 0.42091 0.56609 O129 O 0.39243 0.92049 0.57886 O130 O 0.37140 0.67358 0.54865 O131 O 0.87068 0.67894 0.55230 O132 O 0.88954 0.92966 0.57744 O133 O 0.88897 0.42742 0.56727 O134 O 0.86955 0.17836 0.55038 O135 O 0.72801 0.07033 0.92909 O136 O 0.68706 0.08380 0.74345 O137 O 0.65839 0.00952 0.86919 O138 O 0.22552 0.54115 0.91034 O139 O 0.18166 0.59656 0.73518 O140 O 0.15499 0.52687 0.86790 O141 O 0.72998 0.56942 0.12490 O142 O 0.68162 0.75915 0.09249 O143 O 0.66022 0.51180 0.05078 O144 O 0.22991 0.96775 0.13485 O145 O 0.18782 0.75513 0.09578 O146 O 0.15946 0.99475 0.05083 O147 O 0.77347 0.26112 0.01782 O148 O 0.79095 0.44069 0.91188 O149 O 0.78483 0.51071 0.07535 O150 O 0.26235 0.75634 0.97899 O151 O 0.29159 0.94306 0.90560 O152 O 0.28412 0.97423 0.07473 O153 O 0.28225 0.53049 0.07281 O154 O 0.29167 0.57411 0.90692 O155 O 0.78622 0.01083 0.07890 O156 O 0.79181 0.08630 0.91414 O157 O 0.74842 0.45898 0.72769 O158 O 0.70626 0.25973 0.64040 O159 O 0.68900 0.50297 0.57487 O160 O 0.24680 0.95487 0.72382 O161 O 0.20380 0.76074 0.63118 O162 O 0.18727 0.00618 0.57270 O163 O 0.29522 0.55554 0.26087 O164 O 0.30106 0.74335 0.38785 O165 O 0.32363 0.49946 0.44601 O166 O 0.79581 0.93287 0.25696 O167 O 0.80243 0.75365 0.39232 O168 O 0.82661 0.99512 0.44244 O169 O 0.29491 0.76088 0.78355 O170 O 0.31663 0.00651 0.77163 O171 O 0.79629 0.26543 0.78824 O172 O 0.81787 0.50981 0.77898 O173 O 0.77447 0.75992 0.11499 O174 O 0.79595 0.58088 0.25492 O175 O 0.26618 0.75076 0.13717 O176 O 0.29696 0.93684 0.26252 O177 O 0.75100 0.06563 0.72926 O178 O 0.69205 0.01291 0.57866 O179 O 0.24695 0.56712 0.72640 O180 O 0.18839 0.51133 0.57640 O181 O 0.22782 0.53809 0.13348 O182 O 0.73024 0.94920 0.12359 O183 O 0.66026 0.00355 0.04770 O184 O 0.15710 0.51898 0.04779 O185 O 0.32791 0.98057 0.44592 O186 O 0.82566 0.50835 0.43902 O187 O 0.31706 0.51604 0.77460 O188 O 0.82135 0.02445 0.78762 O189 O 0.34010 0.01446 0.62857 O190 O 0.83736 0.50626 0.62593 O191 O 0.34093 0.50710 0.63390 O192 O 0.83706 0.01072 0.62965