#*********************************************************************************
#
# Crystallographic Information File for |Ba-Cl-|[Al-Si-O]-MER
#
# Reference :
# Solov’eva, L.P., Borisov, S.V. and Bakakin, V.V.
# Sov. Phys. Crystallogr., 16, 1035-1038, (1972)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher and L.B. McCusker,
# Database of Zeolite Structures: http://www.iza-structure.org/databases/
#
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data_|Ba-Cl-|[Al-Si-O]-MER
_chemical_name_systematic '|Ba-Cl-|[Al-Si-O]-MER'
_cell_length_a 14.194
_cell_length_b 14.194
_cell_length_c 9.234
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'I 4/m m m'
_symmetry_space_group_name_H-M 'I 4/m m m'
_symmetry_space_group_name_Hall '-I 4 2'
_space_group.IT_number 139
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
BA1 Ba 0.1816 0.5 0.5 5 1
BA2 Ba 0.5 0.5 0.288 14.5 1
CL1 Cl 0.375 0.375 0.5 5.1 1
O2- O2- 0 0.5 0.25 4.8 1
SI1 Si 0.2386 0.3917 0.157 2.2 0.6667
AL1 Al 0.2386 0.3917 0.157 2.2 0.3333
O1 O 0.193 0.39 0 3.6 1
O2 O 0.35 0.35 0.156 4.6 1
O3 O 0.158 0.342 0.25 7 1
O4 O 0.257 0.5 0.213 3.3 1
# End of data for |Ba-Cl-|[Al-Si-O]-MER