#*********************************************************************************
#
# Crystallographic Information File for RUB-13
#
# Reference :
# Vortmann, S., Marler, B., Gies, H. and Daniels, P.
# Microporous Materials, 4, 111-121, (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-13
_chemical_name_systematic 'RUB-13'

_cell_length_a 9.659
_cell_length_b 20.461
_cell_length_c 9.831
_cell_angle_alpha 90
_cell_angle_beta 96.58
_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
T1 Si -0.00071 0.32074 0.34243 0.96 0.969
T2 Si 0.40984 0.07574 0.12008 1.21 0.969
T3 Si 0.25048 0.26603 0.21513 1.37 0.969
T4 Si 0.15487 0.15272 0.01508 1.69 0.969
O1 O 0 0.34053 0.5 1.76 1
O2 O 0 0.12655 0 1.94 1
O3 O 0.151 0.29265 0.3211 2.07 1
O4 O 0.16628 0.21447 0.11538 2.59 1
O5 O 0.25098 0.09473 0.07707 2.22 1
O6 O 0.31018 0.32663 0.12877 2.43 1
O7 O -0.11737 0.26658 0.30066 2.6 1
O8 O 0.42048 0 0.15383 2.3 1
O9 O -0.03047 0.38601 0.25539 2.53 1
O10 O 0.5 0.09471 0 2.68 1
# End of data for RUB-13