#*********************************************************************************
#
# Crystallographic Information File for Mazzite
#
# Reference :
# Galli, E.
# Rend. Soc. Ital. Mineral. Petrol., 31, 599-612, (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_Mazzite
_chemical_name_systematic 'Mazzite'
_cell_length_a 18.392
_cell_length_b 18.392
_cell_length_c 7.646
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P 63/m m c'
_symmetry_space_group_name_H-M 'P 63/m m c'
_symmetry_space_group_name_Hall '-P 6c 2c'
_space_group.IT_number 194
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
NA1 Na 0.5 0 0 4.61 0.05
K1 K 0.5 0 0 4.61 0.42
MG1 Mg 0.3333 0.6667 -0.25 2.71 1
CA1 Ca 0.5 0 0 4.61 0.03
CA2 Ca 0 0 0.072 23.2 0.22
SI1 Si 0.1584 0.4902 0.25 1.05 0.73
SI2 Si 0.3536 0.0933 0.0444 1.05 0.73
AL1 Al 0.1584 0.4902 0.25 1.05 0.27
AL2 Al 0.3536 0.0933 0.0444 1.05 0.27
O1 O 0.2589 0.5178 0.25 2.38 1
O2 O 0.4249 0.8498 0.25 1.9 1
O3 O 0.3822 0.1004 0.25 2.14 1
O4 O 0.4352 0.1114 -0.0721 2.27 1
O5 O 0.1614 0.3228 -0.0016 1.96 1
O6 O 0.2741 0 0 2.37 1
H2O1 O2-(H2O) 0.467 0.934 0.661 6.4 0.5
H2O2 O2-(H2O) 0.3333 0.6667 0.016 4.3 1
H2O3 O2-(H2O) 0.271 0.542 -0.25 5.4 0.44
H2O4 O2-(H2O) 0.566 0.355 0.25 6.9 0.44
H2O5 O2-(H2O) 0.028 0.148 0.03 7.7 0.23
H2O6 O2-(H2O) 0.088 0.176 0.25 21.8 0.89
H2O7 O2-(H2O) 0.076 0.152 -0.25 31.2 0.45
# End of data for Mazzite