#*********************************************************************************
#
# Crystallographic Information File for 1-aminoadamantane Sigma-2 
#
# Reference :
#   McCusker, L.B.
#   J. Appl. Crystallogr., 21, 305-310, (1988)
#
# 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_1-aminoadamantane_Sigma-2
_chemical_name_systematic '1-aminoadamantane Sigma-2'

_cell_length_a      10.2387
_cell_length_b      10.2387
_cell_length_c      34.3829 
_cell_angle_alpha   90 
_cell_angle_beta    90 
_cell_angle_gamma   90
_cell_formula_units_Z   1


_space_group.name_H-M_ref   'I 41/a m d'
_symmetry_space_group_name_H-M   'I 41/a m d'
_symmetry_space_group_name_Hall  '-I 4bd 2'
_space_group.IT_number  141 
_space_group.IT_coordinate_system_code  '2'

 
 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  0.2843  0.25  0.1182  0.08  1
SI2  Si  0.2811  0  0  0.16  1
SI3  Si  0.1539  0.25  0.0349  0.08  1
SI4  Si  0.151  0.25  0.1954  0.24  1
O1  O  0  0.25  0.2072  1.03  1
O2  O  0.2165  0.1201  0.2131  1.03  1
O3  O  0.2297  0.25  0.0754  0.32  1
O4  O  0.1689  0.25  0.1493  0.55  1
O5  O  0  0.25  0.043  1.5  1
O6  O  0.1913  0.1219  0.01  0.63  1
O7  O  0.3729  0.1229  0.125  1.66  1
C1  C  0.124  -0.126  0.125  7.9  0.3
C2  C  0  -0.25  0.073  7.9  0.3
C3  C  0  -0.126  0.099  7.9  0.3
C4  C  0  -0.003  0.103  7.9  0.46
C5  C  0.115  -0.151  0.086  7.9  0.53
C6  C  0  -0.077  0.145  7.9  0.47

# End of data for 1-aminoadamantane_Sigma-2