#*********************************************************************************<br>
#<br>
# Crystallographic Information File for H-ZSM-5, calcined, HT <br>
#<br>
# Reference : <br>
#   van Koningsveld, H.<br>
#   Acta Crystallogr., B46, 731-735, (1990)<br>
#<br>
#<br>
# CIF downloaded from the IZA-SC Database of Zeolite Structures<br>
# Ch. Baerlocher, L.B. McCusker and D.H. Brouwer<br>
# Database of Zeolite Structures: https://www.iza-structure.org/databases/ <br>
#<br>
#**********************************************************************************<br>


data_H-ZSM-5_calcined_HT<br>
_chemical_name_systematic 'H-ZSM-5, calcined, HT'<br><br>

_cell_length_a      20.078<br>
_cell_length_b      19.894<br>
_cell_length_c      13.372 <br>
_cell_angle_alpha   90 <br>
_cell_angle_beta    90 <br>
_cell_angle_gamma   90<br>
_cell_formula_units_Z   1<br>

<br>_space_group.name_H-M_ref   'P n m a'<br>
_symmetry_space_group_name_H-M   'P n m a'<br>
_symmetry_space_group_name_Hall  '-P 2ac 2n'<br>
_space_group.IT_number  62 <br>
<br>
 
 loop_<br>
_atom_site_label<br>
_atom_site_type_symbol<br>
_atom_site_fract_x<br>
_atom_site_fract_y<br>
_atom_site_fract_z<br>
_atom_site_B_iso_or_equiv<br>
_atom_site_occupancy<br>
Sil  Si  0.4229  0.0567  -0.335  1.18  1<br>
Si2  Si  0.3084  0.0289  -0.187  1.34  1<br>
Si3  Si  0.2791  0.0619  0.0325  1.34  1<br>
Si4  Si  0.1222  0.0639  0.0283  1.18  1<br>
Si5  Si  0.0716  0.0282  -0.1841  1.11  1<br>
Si6  Si  0.187  0.059  -0.326  1.26  1<br>
Si7  Si  0.4234  -0.1721  -0.3233  1.18  1<br>
Si8  Si  0.3086  -0.1292  -0.182  1.26  1<br>
Si9  Si  0.2741  -0.1726  0.0334  1.11  1<br>
Si10  Si  0.1196  -0.1732  0.0299  1.18  1<br>
Si11  Si  0.0704  -0.1298  -0.182  1.18  1<br>
Si12  Si  0.188  -0.1728  -0.3167  1.26  1<br>
O1  O  0.3725  0.0555  -0.2437  3.47  1<br>
O2  O  0.3093  0.0594  -0.0776  2.92  1<br>
O3  O  0.2007  0.0595  0.0284  4.26  1<br>
O4  O  0.0953  0.0633  -0.0831  3.16  1<br>
O5  O  0.116  0.0541  -0.2747  2.61  1<br>
O6  O  0.2433  0.0533  -0.2435  3.79  1<br>
O7  O  0.3741  -0.1566  -0.2335  3.32  1<br>
O8  O  0.3085  -0.1559  -0.0699  3.32  1<br>
O9  O  0.1969  -0.1545  0.0271  2.92  1<br>
O10  O  0.0887  -0.1629  -0.0781  3.63  1<br>
O11  O  0.1176  -0.1576  -0.2672  3.24  1<br>
O12  O  0.2448  -0.1556  -0.2388  4.03  1<br>
O13  O  0.3087  -0.0499  -0.1822  5.21  1<br>
O14  O  0.0786  -0.051  -0.1728  3.4  1<br>
O15  O  0.4175  0.1269  -0.3908  3  1<br>
O16  O  0.4079  -0.0021  -0.412  3.4  1<br>
O17  O  0.4006  -0.1329  -0.4221  2.76  1<br>
O18  O  0.1913  0.1302  -0.3801  2.76  1<br>
O19  O  0.1944  0.0004  -0.4062  3.63  1<br>
O20  O  0.1965  -0.1297  -0.4158  3.32  1<br>
O21  O  -0.0035  0.049  -0.2077  2.37  1<br>
O22  O  -0.0045  -0.149  -0.2104  2.45  1<br>
O23  O  0.4227  -0.25  -0.3491  2.92  1<br>
O24  O  0.1924  -0.25  -0.348  2.68  1<br>
O25  O  0.2841  -0.25  0.0596  2.21  1<br>
O26  O  0.11  -0.25  0.062  2.21  1<br>

# End of data for H-ZSM-5_calcined_HT<br>