#*********************************************************************************
#
# Crystallographic Information File for Clinoptilolite
#
# Reference :
# Koyama, K. and Takeuchi, Y.
# Z. Kristallogr., 145, 216-239, (1977)
#
#
# 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_Clinoptilolite
_chemical_name_systematic 'Clinoptilolite'

_cell_length_a 17.662
_cell_length_b 17.911
_cell_length_c 7.407
_cell_angle_alpha 90
_cell_angle_beta 116.4
_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
NA1 Na 0.1428 0 0.667 5.49 0.36
NA2 Na 0.0393 0.5 0.21 3.13 0.1
K3 K 0.2413 0.5 0.049 5.1 0.44
MG4 Mg 0 0 0.5 1.1 0.1
CA1 Ca 0.1428 0 0.667 5.49 0.06
CA2 Ca 0.0393 0.5 0.21 3.13 0.25
SI1 Si 0.17906 0.16943 0.0963 1.07 0.83
SI2 Si 0.21334 0.41099 0.504 1.1 0.69
SI3 Si 0.20846 0.19034 0.7153 1.01 0.87
SI4 Si 0.06623 0.29837 0.4148 1.09 0.89
SI5 Si 0 0.21651 0 1.11 0.9
AL1 Al 0.17906 0.16943 0.0963 1.07 0.17
AL2 Al 0.21334 0.41099 0.504 1.1 0.31
AL3 Al 0.20846 0.19034 0.7153 1.01 0.13
AL4 Al 0.06623 0.29837 0.4148 1.09 0.11
AL5 Al 0 0.21651 0 1.11 0.1
O1 O 0.1959 0.5 0.4574 2.39 1
O2 O 0.2336 0.1204 0.6144 2.47 1
O3 O 0.185 0.1551 0.8559 2.64 1
O4 O 0.2333 0.1041 0.2509 2.37 1
O5 O 0 0.3232 0.5 2.64 1
O6 O 0.0808 0.1627 0.0555 1.96 1
O7 O 0.1268 0.2317 0.5492 3.05 1
O8 O 0.0122 0.2702 0.1856 2.48 1
O9 O 0.2123 0.252 0.186 2.31 1
O10 O 0.1188 0.3718 0.4148 2.42 1
H2O1 O2-(H2O) 0.211 0.5 -0.033 6.2 0.38
H2O2 O2-(H2O) 0.084 0 0.888 14.6 0.44
H2O3 O2-(H2O) 0.0777 0.4206 0.964 9.5 1
H2O4 O2-(H2O) 0 0.5 0.5 7.4 1
H2O5 O2-(H2O) 0 0.095 0.5 22.1 0.76
H2O6 O2-(H2O) 0.073 0 0.249 19.1 0.84
H2O7 O2-(H2O) 0.096 0 0.756 10.2 0.42
# End of data for Clinoptilolite