#********************************************************************************* # # Crystallographic Information File for Tounkite-like mineral # # Reference : # Rozenberg, K.A., Sapozhnikov, A.N., Rastsvetaeva, R.K., Bolotina, N.B. and Kashaev, A.A. # Crystallogr. Reports, 4, 635-642, (2004) # # # CIF downloaded from the IZA-SC Database of Zeolite Structures # Ch. Baerlocher and L.B. McCusker, # Database of Zeolite Structures: http://www.iza-structure.org/databases/ # #********************************************************************************** data_Tounkite-like_mineral _chemical_name_systematic 'Tounkite-like mineral' _cell_length_a 12.757 _cell_length_b 12.757 _cell_length_c 32.211 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'P 3' _symmetry_space_group_name_H-M 'P 3' _symmetry_space_group_name_Hall 'P 3' _space_group.IT_number 143 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_B_iso_or_equiv _atom_site_occupancy Si1 Si 0.257 0.0019 0 0.4 1 Si2 Si 0.9245 0.5856 0.084 0.5 1 Si3 Si 0.0036 0.2553 0.1659 0.4 1 Si4 Si 0.9249 0.5854 0.2477 0.5 1 Si5 Si 0.0003 0.2543 0.3318 0.7 1 Si6 Si 0.3409 0.4152 0.4156 0.7 1 Si7 Si 0.2552 0.0039 0.4975 0.5 1 Si8 Si 0.339 0.414 0.5803 0.6 1 Si9 Si 0.2532 -0.0024 0.6642 0.7 1 Si10 Si 0.9249 0.5866 0.7477 0.9 1 Si11 Si 0.2534 0.0001 0.8319 0.7 1 Si12 Si 0.587 0.9236 0.9165 0.8 1 Al1 Al 0.7405 -0.0005 -0.0014 0.86 1 Al2 Al 0.4026 0.0779 0.0838 0.53 1 Al3 Al 0.2627 0.2601 0.165 0.71 1 Al4 Al 0.4025 0.078 0.2476 0.43 1 Al5 Al 0.2597 0.2599 0.3319 0.65 1 Al6 Al 0.0772 0.402 0.4154 0.75 1 Al7 Al 0.0033 0.7405 0.4982 0.7 1 Al8 Al 0.0773 0.4021 0.5805 0.69 1 Al9 Al 0.7423 0.0005 0.6661 1.05 1 Al10 Al 0.402 0.0767 0.7483 0.74 1 Al11 Al 0.7399 0.0005 0.8319 0.58 1 Al12 Al 0.0786 0.403 0.916 0.37 1 O1 O 0.1205 0.8817 0.002 1.6 1 O2 O 0.8903 0.1134 -0.0017 1.8 1 O3 O 0.3495 0.3463 0.0398 1.8 1 O4 O 0.673 0.6657 0.0367 1.6 1 O5 O 0.5501 0.453 0.0857 1.7 1 O6 O 0.7777 0.2118 0.0855 1.4 1 O7 O 0.3336 0.3455 0.1206 1.4 1 O8 O 0.6633 0.6756 0.1237 2 1 O9 O 0.8841 0.1239 0.1659 0.8 1 O10 O 0.1154 0.8833 0.167 1.3 1 O11 O 0.3407 0.3454 0.2076 1.4 1 O12 O 0.6638 0.671 0.2031 1.3 1 O13 O 0.5479 0.4521 0.2483 1.3 1 O14 O 0.7733 0.2039 0.2473 1.4 1 O15 O 0.3407 0.3418 0.2865 1.9 1 O16 O 0.6728 0.6744 0.2912 1.3 1 O17 O 0.8852 0.1194 0.3324 1.9 1 O18 O 0.1178 0.8872 0.3291 1.5 1 O19 O 0.3434 0.3482 0.3734 1.8 1 O20 O 0.665 0.6695 0.3704 1.4 1 O21 O 0.4511 0.5474 0.4131 2 1 O22 O 0.2091 0.7696 0.4181 0.9 1 O23 O 0.348 0.3384 0.4535 0.9 1 O24 O 0.6744 0.6603 0.4574 2 1 O25 O 0.1266 0.8875 0.4979 1.7 1 O26 O 0.8853 0.1151 0.4978 1.5 1 O27 O 0.3449 0.3354 0.5401 1.4 1 O28 O 0.6734 0.6631 0.5369 1.4 1 O29 O 0.4564 0.5476 0.582 1.9 1 O30 O 0.2153 0.7763 0.5774 1.5 1 O31 O 0.3441 0.3476 0.6216 1.4 1 O32 O 0.6681 0.6743 0.6235 1.4 1 O33 O 0.1163 0.8878 0.6648 1.5 1 O34 O 0.8844 0.1209 0.6643 2 1 O35 O 0.3443 0.3451 0.7047 2.2 1 O36 O 0.6705 0.6772 0.7042 1.2 1 O37 O 0.5465 0.4578 0.7489 2.6 1 O38 O 0.7739 0.2146 0.7474 1.9 1 O39 O 0.3432 0.3412 0.7883 1.7 1 O40 O 0.6707 0.6664 0.7902 2.3 1 O41 O 0.1213 0.8869 0.8329 1.8 1 O42 O 0.8882 0.1196 0.8349 1.3 1 O43 O 0.342 0.3416 0.8734 1.4 1 O44 O 0.669 0.6695 0.8698 1.8 1 O45 O 0.4577 0.5481 0.9196 2 1 O46 O 0.2108 0.7774 0.9174 1.7 1 O47 O 0.3432 0.3436 0.9555 1.8 1 O48 O 0.6761 0.6704 0.9564 1 1 Ca1 Ca 0 0 0.001 1.21 1 Ca2 Ca 0 0 0.1667 0.81 1 Ca3 Ca 0 0 0.3314 1.21 1 Ca4 Ca 0 0 0.4988 0.67 1 Ca5 Ca 0 0 0.666 1.08 1 Ca6 Ca 0 0 0.8331 1.15 1 Ca7 Ca 0.6667 0.3333 0.0864 1.6 1 Ca8 Ca 0.6667 0.3333 0.2497 1.92 1 Ca9 Ca 0.6667 0.3333 0.7489 3.17 1 Ca10 Ca 0.3333 0.6667 0.4163 1.19 1 Ca11 Ca 0.3333 0.6667 0.9255 1.85 1 Ca12 Ca 0.3333 0.6667 0.5778 1.63 1 Cl1 Cl 0 0 0.0844 5.5 1 Cl2 Cl 0 0 0.2498 6.5 1 Cl3 Cl 0.3333 0.6667 0.4976 5.4 1 Cl4 Cl 0 0 0.4162 4.9 1 Cl5 Cl 0 0 0.5805 5.3 1 Cl6 Cl 0.6667 0.3333 0.1711 5.8 1 Cl7 Cl 0 0 0.7481 4.5 1 Cl8 Cl 0 0 0.9171 4.9 1 Na1 Na 0.5056 0.5036 -0.0009 2.8 1 Na2 Na 0.2181 0.4271 0.0827 3.84 0.86 Na3 Na 0.169 0.334 0.0767 3.2 0.14 Na4 Na 0.4783 0.5307 0.1629 3.4 1 Na5 Na 0.2208 0.4395 0.2458 3.6 1 Na6 Na 0.5049 0.4996 0.3319 3.79 0.65 Ca13 Ca 0.5049 0.4996 0.3319 3.79 0.35 Na7 Na 0.4326 0.218 0.4153 2.87 1 Na8 Na 0.526 0.4818 0.4964 3.87 0.65 Ca14 Ca 0.526 0.4818 0.4964 3.87 0.35 Na9 Na 0.4415 0.2245 0.5789 3.53 1 Na10 Na 0.4987 0.5099 0.6652 3.52 0.65 Ca15 Ca 0.4987 0.5099 0.6652 3.52 0.35 Na11 Na 0.2265 0.446 0.7509 3.63 0.48 K K 0.2265 0.446 0.7509 3.63 0.32 Na12 Na 0.213 0.411 0.7398 4.5 0.2 Na13 Na 0.504 0.5075 0.8328 2.92 1 Na14 Na 0.4413 0.2238 0.9156 3.65 0.49 Ca16 Ca 0.4413 0.2238 0.9156 3.65 0.26 Na15 Na 0.36 0.186 0.9129 6.6 0.25 S1 S 0.3333 0.6667 0.0213 5.24 1 S2 S 0.3333 0.6667 0.1713 4 1 S3 S 0.6667 0.3333 0.4991 2.59 1 S4 S 0.6667 0.3333 0.6382 3.39 1 S5 S 0.6667 0.3333 0.8492 3.02 1 S6 S 0.3333 0.6667 0.3068 3.3 1 S7 S 0.3333 0.6667 0.6846 3.07 1 S8 S 0.3333 0.6667 0.8141 2.99 1 S9 S 0.6667 0.3333 0.3575 2.44 1 S10 S 0.6667 0.3333 0.9786 2.63 1 O49 O 0.22 0.614 0.051 5.6 0.7 O50 O 0.237 0.615 0.9951 3.6 0.3 O51 O 0.3333 0.6667 0.062 6.8 0.3 O52 O 0.235 0.618 0.2023 7.4 0.5 O53 O 0.3333 0.6667 0.129 7.9 0.5 O54 O 0.272 0.559 0.155 8.9 0.5 O55 O 0.3333 0.6667 0.215 6.8 0.5 O56 O 0.558 0.28 0.4774 4.6 0.5 O57 O 0.6667 0.3333 0.5443 6.6 0.5 O58 O 0.5705 0.253 0.5239 5.4 0.5 O59 O 0.6667 0.3333 0.4544 6.2 0.5 O60 O 0.6 0.39 0.6313 8.3 1 O61 O 0.6667 0.3333 0.681 6.4 1 O62 O 0.627 0.407 0.8701 4.7 1 O63 O 0.6667 0.3333 0.805 6.7 1 O64 O 0.212 0.603 0.2885 7.6 1 O65 O 0.3333 0.6667 0.3471 7.5 1 O66 O 0.211 0.597 0.6969 5.8 1 O67 O 0.3333 0.6667 0.647 7.2 1 O68 O 0.2075 0.592 0.8019 7.6 1 O69 O 0.3333 0.6667 0.8553 8.7 1 O70 O 0.609 0.399 0.3669 5.7 1 O71 O 0.6667 0.3333 0.3166 5.8 1 O72 O 0.61 0.396 0.9634 6.9 1 O73 O 0.6667 0.3333 0.0214 5 1 # End of data for Tounkite-like_mineral