#*********************************************************************************
#
# Crystallographic Information File for STA-1
#
# Reference :
# Noble, G.W., Wright, P.A., Lightfoot, P., Morris, R.E., Hudson, K.J., Kvick, Å. and Graafsma, H.
# Angew. Chem. Int. Ed., 36, 81-83, (1997)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher, L.B. McCusker and D.H. Brouwer
# Database of Zeolite Structures: https://www.iza-structure.org/databases/
#
#**********************************************************************************
data_STA-1
_chemical_name_systematic 'STA-1'
_cell_length_a 13.62
_cell_length_b 13.62
_cell_length_c 21.649
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P -4 n 2'
_symmetry_space_group_name_H-M 'P -4 n 2'
_symmetry_space_group_name_Hall 'P -4 -2n'
_space_group.IT_number 118
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
P1 P 0.3905 0.1197 0.1332 1.6 1
P2 P 0.11 0.1207 0.1892 1.69 1
P3 P 0.2094 -0.1143 0.0563 1.7 1
P4 P 0.2953 -0.2047 0.25 1.73 1
Al1 Al 0.2022 0.1119 0.0597 1.76 1
Al2 Al 0.1156 -0.1114 0.1885 1.85 1
Al3 Al 0.39 -0.1082 0.1346 1.96 1
Al4 Al 0.295 0.205 0.25 1.57 1
O1 O 0.322 0.141 0.0821 3 1
O2 O 0.3706 0.1832 0.1872 3.3 1
O3 O 0.3763 0.0132 0.1538 2.4 1
O4 O 0.4928 0.136 0.111 2.5 1
O5 O 0.1959 -0.0099 0.0369 3.7 1
O6 O 0.126 0.1403 0.122 2.6 1
O7 O 0.1812 0.1848 -0.0039 3.1 1
O8 O 0.1737 0.1878 0.2267 2.5 1
O9 O 0.1332 0.0152 0.2036 2.5 1
O10 O 0.3141 -0.1304 0.0715 3.8 1
O11 O 0.1439 -0.1372 0.1105 2.9 1
O12 O 0.0057 0.1434 0.2061 2.5 1
O13 O 0.1906 -0.1879 0.2353 2.8 1
O14 O 0.3577 -0.1789 0.1965 4 1
# End of data for STA-1