#*********************************************************************************
#
# Crystallographic Information File for Levyne
#
# Reference :
# Merlino, S., Galli, E. and Alberti, A.
# Tschermaks Min. Petr. Mitt., 22, 117-129, (1975)
#
#
# 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_Levyne
_chemical_name_systematic 'Levyne'
_cell_length_a 13.338
_cell_length_b 13.338
_cell_length_c 23.014
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'R -3 m'
_symmetry_space_group_name_H-M 'R -3 m'
_symmetry_space_group_name_Hall '-R 3 2"'
_space_group.IT_number 166
_space_group.IT_coordinate_system_code 'H'
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
NA2 Na 0 0 0.2782 3.4 0.12
NA3 Na 0 0 0.4095 9.4 0.12
NA4 Na 0 0 0.4498 0.7 0.06
NA5 Na 0 0 0.5 0.7 0.12
K2 K 0 0 0.2782 3.4 0.06
K3 K 0 0 0.4095 9.4 0.06
CA1 Ca 0 0 0.1389 3.48 1
CA2 Ca 0 0 0.2782 3.4 0.12
CA3 Ca 0 0 0.4095 9.4 0.12
CA4 Ca 0 0 0.4498 0.7 0.06
SI1 Si 0.0001 0.2322 0.0697 1.39 0.65
SI2 Si 0.2396 0 0.5 1.32 0.65
AL1 Al 0.0001 0.2322 0.0697 1.39 0.35
AL2 Al 0.2396 0 0.5 1.32 0.35
O1 O 0.0339 0.3493 0.1079 2.72 1
O2 O 0.092 -0.092 0.0827 2.98 1
O3 O 0.1275 -0.1275 -0.091 3.45 1
O4 O 0.2643 0 0 3.83 1
O5 O 0.2219 -0.2219 0.1793 2.98 1
H2O1 O2-(H2O) 0.2567 -0.2567 -0.1241 4.8 1
H2O2 O2-(H2O) 0.1222 -0.1222 0.2852 8 0.74
H2O3 O2-(H2O) 0.2547 -0.2547 0.0187 6.5 0.54
H2O4 O2-(H2O) 0.5429 -0.5429 -0.0445 5.7 0.28
# End of data for Levyne