#***************************************************************************
#
# Crystallographic Information File for Tetramethylammonium ZAPO-M1
#
# Marler, B., Patarin, J. and Sierra, L.
# Microporous Materials,  5,  151-159  (1995)
#
# CIF taken 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_ZON
_chemical_name_systematic
'Tetramethylammonium ZAPO-M1'
_chemical_formula_structural
'|N₈C_42.656| [Al₂₅Zn₇P₃₂O₁₂₈]'

_cell_length_a    14.226
_cell_length_b    15.117
_cell_length_c    17.557
_cell_angle_alpha    90
_cell_angle_beta    90
_cell_angle_gamma    90
_cell_formula_units_Z 1
_symmetry_space_group_name_H-M    'Pbca'

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
AL1  Al  0.0532  0.7242  0.3410  1.56  0.639
AL2  Al  0.5553  0.9022  0.4377  1.56  0.794
AL3  Al  0.4234  0.6045  0.4306  1.56  0.814
AL4  Al  0.2111  0.8403  0.5378  1.56  0.877
ZN1  Zn  0.0532  0.7242  0.3410  1.69  0.361
ZN2  Zn  0.5553  0.9022  0.4377  1.69  0.206
ZN3  Zn  0.4234  0.6045  0.4306  1.69  0.186
ZN4  Zn  0.2111  0.8403  0.5378  1.69  0.123
P1  P  0.4499  0.4048  0.4262  2.25  1.0
P2  P  0.5849  0.1002  0.4250  2.25  1.0
P3  P  0.5607  0.7292  0.3412  2.25  1.0
P4  P  0.2147  0.6608  0.4506  2.25  1.0
O1  O  0.0432  0.0001  0.3975  3.46  1.0
O2  O  -0.5552  -0.0084  0.6006  3.46  1.0
O3  O  0.0523  -0.1605  0.3570  3.46  1.0
O4  O  -0.0558  0.3285  0.3629  3.46  1.0
O5  O  -0.0494  -0.3296  0.3703  3.46  1.0
O6  O  0.0279  0.1831  0.3709  3.46  1.0
O7  O  0.1970  0.1063  0.4270  3.46  1.0
O8  O  -0.3063  0.1053  0.4351  3.46  1.0
O9  O  -0.4573  0.1168  0.5049  3.46  1.0
O10  O  0.0359  0.1174  0.5247  3.46  1.0
O11  O  0.3383  0.1058  0.5102  3.46  1.0
O12  O  -0.0722  0.2158  0.2574  3.46  1.0
O13  O  0.3486  0.1715  0.3817  3.46  1.0
O14  O  0.2528  0.2463  0.4864  3.46  1.0
O15  O  0.1399  -0.1002  0.4770  3.46  1.0
O16  O  -0.1496  0.1936  0.3819  3.46  1.0
N1  N  0.3047  0.9264  0.2574  4.41  1.0
C1  C  0.2179  0.9808  0.2397  12.44  1.333
C2  C  0.3954  0.9835  0.2517  12.44  1.333
C3  C  0.3024  0.8446  0.2023  12.44  1.333
C4  C  0.3006  0.8984  0.3392  12.44  1.333

# End of data for Tetramethylammonium ZAPO-M1