#*********************************************************************************
#
# Crystallographic Information File for Mesolite
#
# Reference :
# Artioli, G., Smith, J.V. and Pluth, J.J.
# Acta Crystallogr., C42, 937-942, (1986)
#
#
# 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_Mesolite
_chemical_name_systematic 'Mesolite'

_cell_length_a 18.4049
_cell_length_b 56.655
_cell_length_c 6.5443
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'F d d 2'
_symmetry_space_group_name_H-M 'F d d 2'
_symmetry_space_group_name_Hall 'F 2 -2d'
_space_group.IT_number 43

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
NA Na 0.96736 0.76089 0.63172 1.48 1
CA Ca 0.22807 0.82737 0.88068 0.91 1
SI1 Si 0.75 0.75 0 0.55 1
SI2 Si 0.15499 0.76432 0.8721 0.48 1
SI3 Si 0.90188 0.81979 0.6504 0.5 1
SI4 Si 0.08794 0.84688 0.65213 0.52 1
SI5 Si 0.00435 0.8318 0.2774 0.53 1
AL1 Al 0.78689 0.78025 0.6131 0.5 1
AL2 Al 0.0363 0.80211 0.89287 0.52 1
AL3 Al 0.95155 0.86233 0.89294 0.51 1
O1 O 0.76818 0.77289 0.86482 1.03 1
O2 O 0.02298 0.808 0.15228 0.98 1
O3 O 0.98498 0.85319 0.12809 1.18 1
O4 O 0.82365 0.80837 0.59682 0.7 1
O5 O 0.07262 0.77385 0.86425 0.72 1
O6 O 0.16644 0.85935 0.67096 0.83 1
O7 O 0.84335 0.75866 0.51529 1 1
O8 O 0.09631 0.82339 0.79447 0.93 1
O9 O 0.88933 0.84183 0.80185 0.98 1
O10 O 0.95568 0.80062 0.75319 1.06 1
O11 O 0.20947 0.78462 0.9595 0.86 1
O12 O 0.02193 0.86358 0.71805 1 1
O13 O 0.93735 0.82799 0.43383 1.09 1
O14 O 0.1802 0.75695 0.64166 1.06 1
O15 O 0.07638 0.83892 0.41273 0.99 1
H11 H 0.045 0.7813 0.322 0.7 1
H12 H 0.0881 0.7679 0.42 0.9 1
H21 H 0.7773 0.8037 0.018 1 1
H22 H 0.8085 0.8232 0.004 2.7 1
H31 H 0.2274 0.856 0.247 2.1 1
H32 H 0.1685 0.8438 0.26 1.2 1
H41 H 0.8072 0.8702 0.387 0.6 1
H42 H 0.8615 0.8525 0.359 2 1
O21 O 0.05347 0.76839 0.37684 1.67 1
O22 O 0.78167 0.81598 0.07685 2.83 1
O23 O 0.20069 0.8482 0.18338 2.46 1
O24 O 0.81793 0.85687 0.36556 2.05 1
# End of data for Mesolite