#*********************************************************************************
#
# Crystallographic Information File for RUB-3, as-made
#
# Reference :
# Marler, B., Grünewald-Lüke, A. and Gies, H.
# Zeolites, 15, 388-399, (1995)
#
#
# 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_RUB-3_as-made
_chemical_name_systematic 'RUB-3, as-made'
_cell_length_a 14.039
_cell_length_b 13.602
_cell_length_c 7.428
_cell_angle_alpha 90
_cell_angle_beta 102.22
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'C 1 2/m 1'
_symmetry_space_group_name_H-M 'C 1 2/m 1'
_symmetry_space_group_name_Hall '-C 2y'
_space_group.IT_number 12
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 0.10276 0.11212 -0.04452 0 1
SI2 Si 0.23364 0.11175 0.35042 0 1
SI3 Si 0.11292 0.21938 0.58774 0 1
O1 O 0 0.1419 0 0 1
O2 O 0.0994 0 -0.10716 0 1
O3 O 0.18747 0.12661 0.13589 0 1
O4 O 0.12441 0.17997 -0.20622 0 1
O5 O 0.26563 0 0.38796 0 1
O6 O 0.32712 0.18095 0.41035 0 1
O7 O 0.15422 0.13944 0.46724 0 1
O8 O 0 0.23919 0.5 0 1
# End of data for RUB-3_as-made