#*********************************************************************************
#
# Crystallographic Information File for N_2, Piperidine Dodecasil 1H 
#
# Reference :
#   Gerke, H. and Gies, H.
#   Z. Kristallogr., 166, 11-22, (1984)
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher, L.B. McCusker, D.H. Brouwer and B. Marler
# Database of Zeolite Structures: https://www.iza-structure.org/databases/
#
#*****************************************************************************************

data_N_2_Piperidine_Dodecasil_1H
_chemical_name_systematic 'N_2, Piperidine Dodecasil 1H'

_cell_length_a      13.783
_cell_length_b      13.783
_cell_length_c      11.19 
_cell_angle_alpha   90 
_cell_angle_beta    90 
_cell_angle_gamma   120
_cell_formula_units_Z   1


_space_group.name_H-M_ref   'P 6/m m m'
_symmetry_space_group_name_H-M   'P 6/m m m'
_symmetry_space_group_name_Hall  '-P 6 2'
_space_group.IT_number  191 

 
 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  0.4186  0.2093  0.2252  2.12  1
SI2  Si  0.3868  0  0.3627  2.36  1
SI3  Si  0.2628  0.1314  0  1.63  1
SI4  Si  0.3333  0.6667  0.1384  1.95  1
O1  O  0.1052  0.3933  0.3031  6.49  1
O2  O  0.5429  0.2715  0.8164  5.56  1
O3  O  0.3405  0.1702  0.1139  4.38  1
O4  O  0.3601  0  0.5  4.49  1
O5  O  0.1865  0  0  4  1
O6  O  0.5  0  0.3451  7.25  1
O7  O  0.3333  0.6667  0  10.14  1
C1  C  0.333  0.667  0.356  10.26  0.1
C2  C  0.381  0.762  0.402  10.26  0.1
C3  C  0.309  0.618  0.436  10.26  0.1
C4  C  0.23  0.76  0.5  10.26  0.1
C5  C  0  0.5  0.036  10.26  0.1
C6  C  0.092  0.636  0  10.26  0.1
C7  C  0.122  0.531  0  10.26  0.1
C8  C  0  0.431  0  10.26  0.1
C9  C  0.14  0.57  0.122  10.26  0.1
C10  C  0  0  0.296  10.26  0.1
C11  C  0.038  0.01  0.38  10.26  0.1
C12  C  0.04  0.08  0.458  10.26  0.1
C13  C  0.041  0.082  0.316  10.26  0.1
C14  C  0.085  0  0.398  10.26  0.1
C15  C  0  0  0.049  10.26  0.1
C16  C  0.199  0.398  0.462  10.26  0.1

# End of data for N_2_Piperidine_Dodecasil_1H