#*********************************************************************************
#
# Crystallographic Information File for H-ZSM-5, monoclinic
#
# Reference :
# van Koningsveld, H., Jansen, J.C. and van Bekkum, H.
# Zeolites, 10, 235-242, (1990)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher, L.B. McCusker and D.H. Brouwer
# Database of Zeolite Structures: http://www.iza-structure.org/databases/
#
#**********************************************************************************
data_H-ZSM-5_monoclinic_
_chemical_name_systematic 'H-ZSM-5, monoclinic '

_cell_length_a 19.879
_cell_length_b 20.107
_cell_length_c 13.369
_cell_angle_alpha 90
_cell_angle_beta 90.67
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'P 1 21/n 1'
_symmetry_space_group_name_H-M 'P 1 21/n 1'
_symmetry_space_group_name_Hall '-P 2yn'
_space_group.IT_number 14

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 0.05546 0.42056 -0.3199 0.26 1
SI2 Si 0.0309 0.31368 -0.16358 0.29 1
SI3 Si 0.06249 0.2796 0.05346 0.29 1
SI4 Si 0.06233 0.12395 0.03674 0.29 1
SI5 Si 0.02804 0.07678 -0.15797 0.26 1
SI6 Si 0.05585 0.19556 -0.31331 0.26 1
SI7 Si -0.17148 0.42542 -0.3193 0.29 1
SI8 Si -0.12653 0.31225 -0.17388 0.29 1
SI9 Si -0.1759 0.27325 0.03597 0.26 1
SI10 Si -0.17634 0.11895 0.03436 0.29 1
SI11 Si -0.12939 0.07156 -0.17516 0.29 1
SI12 Si -0.16528 0.19079 -0.31408 0.29 1
SI13 Si 0.44297 0.42837 -0.33456 0.26 1
SI14 Si 0.47305 0.31237 -0.18814 0.29 1
SI15 Si 0.43889 0.27704 0.0294 0.29 1
SI16 Si 0.43563 0.12155 0.0338 0.29 1
SI17 Si 0.47315 0.07096 -0.17844 0.26 1
SI18 Si 0.43778 0.18737 -0.31743 0.29 1
SI19 Si 0.67204 0.42389 -0.31417 0.26 1
SI20 Si 0.6313 0.31278 -0.16836 0.32 1
SI21 Si 0.66892 0.27312 0.04608 0.29 1
SI22 Si 0.67007 0.11867 0.03868 0.29 1
SI23 Si 0.63082 0.07268 -0.17757 0.32 1
SI24 Si 0.6807 0.19446 -0.29789 0.26 1
O1 O 0.0588 0.3779 -0.2194 0.79 1
O2 O 0.0662 0.3106 -0.0564 0.63 1
O3 O 0.0472 0.2018 0.0465 0.92 1
O4 O 0.0671 0.1032 -0.0784 0.63 1
O5 O 0.0443 0.123 -0.2693 0.66 1
O6 O 0.0477 0.2483 -0.2248 0.89 1
O7 O -0.1533 0.3769 -0.2289 0.89 1
O8 O -0.1669 0.305 -0.0725 0.79 1
O9 O -0.1558 0.196 0.0316 0.76 1
O10 O -0.1689 0.0885 -0.0753 0.89 1
O11 O -0.1511 0.1208 -0.263 0.87 1
O12 O -0.1376 0.2483 -0.2424 0.95 1
O13 O -0.0485 0.3189 -0.149 1.03 1
O14 O -0.0509 0.0781 -0.1529 0.74 1
O15 O 0.1253 0.4145 -0.3771 0.82 1
O16 O -0.0041 0.3923 -0.3892 0.87 1
O17 O -0.134 0.4022 -0.4186 0.71 1
O18 O 0.1298 0.2003 -0.3583 0.63 1
O19 O 0.0026 0.2099 -0.4008 0.82 1
O20 O -0.1275 0.1948 -0.4188 0.68 1
O21 O 0.0515 0.0032 -0.2041 0.58 1
O22 O -0.1475 -0.0023 -0.2098 0.68 1
O23 O -0.2501 0.4239 -0.3413 0.82 1
O24 O -0.2435 0.1987 -0.3356 0.68 1
O25 O -0.2525 0.2822 0.0676 0.61 1
O26 O -0.2526 0.1101 0.0697 0.53 1
O27 O 0.4503 0.3799 -0.2408 0.92 1
O28 O 0.448 0.3143 -0.0754 0.68 1
O29 O 0.4318 0.1991 0.0094 0.82 1
O30 O 0.4478 0.0812 -0.0669 0.84 1
O31 O 0.4351 0.1206 -0.2527 0.63 1
O32 O 0.4401 0.2505 -0.2451 0.79 1
O33 O 0.659 0.3797 -0.2169 0.74 1
O34 O 0.6459 0.3148 -0.0508 0.58 1
O35 O 0.6513 0.1961 0.027 0.68 1
O36 O 0.6559 0.0822 -0.0653 0.92 1
O37 O 0.6678 0.1232 -0.2504 0.92 1
O38 O 0.6694 0.2497 -0.2144 0.84 1
O39 O 0.553 0.3054 -0.1913 1.05 1
O40 O 0.5519 0.0851 -0.1834 0.84 1
O41 O 0.3714 0.4186 -0.3885 0.89 1
O42 O 0.5015 0.4154 -0.4135 0.76 1
O43 O 0.632 0.3938 -0.4087 0.74 1
O44 O 0.3711 0.19 -0.3847 0.66 1
O45 O 0.5032 0.1862 -0.3863 0.74 1
O46 O 0.6326 0.2074 -0.3914 0.92 1
O47 O 0.4576 -0.0039 -0.2104 0.66 1
O48 O 0.6481 -0.0013 -0.212 0.71 1
# End of data for H-ZSM-5_monoclinic_