#*********************************************************************************
#
# Crystallographic Information File for Laumontite
#
# Reference :
# Artioli, G. and Ståhl, K.
# Zeolites, 17, 249-255, (1993)
#
#
# 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_Laumontite
_chemical_name_systematic 'Laumontite'

_cell_length_a 14.8538
_cell_length_b 13.1695
_cell_length_c 7.5421
_cell_angle_alpha 90
_cell_angle_beta 110.323
_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
CA Ca 0.2601 0.5 0.737 3.4 1
SI1 Si 0.2368 0.3838 0.156 1.89 1
SI2 Si 0.0763 0.3834 0.325 2.13 1
AL1 Al 0.1315 0.308 0.737 2.61 1
O1 O 0.26 0.5 0.219 0.79 1
O2 O 0.2084 0.3744 0.919 1.66 1
O3 O 0.1384 0.3838 0.552 0.55 1
O4 O 0.146 0.3454 0.203 2.92 1
O5 O 0.3205 0.3185 0.248 0.79 1
O6 O 0.043 0.5 0.267 0.71 1
O7 O 0.013 0.3083 0.743 2.53 1
H2O1 O2-(H2O) 0.029 0.171 0 2.45 0.5
H2O2 O2-(H2O) 0.401 0.5 0.026 5.92 1
H2O5 O2-(H2O) 0.5 0.467 0.5 3.16 0.5
H2O8 O2-(H2O) 0.1426 0.129 0.332 4.03 1
# End of data for Laumontite