#*********************************************************************************
#
# Crystallographic Information File for Partheite
#
# Reference :
# Engel, N. and Yvon, K.
# Z. Kristallogr., 169, 165-175, (1984)
#
#
# 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_Partheite
_chemical_name_systematic 'Partheite'

_cell_length_a 21.555
_cell_length_b 8.761
_cell_length_c 9.304
_cell_angle_alpha 90
_cell_angle_beta 91.55
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'C 1 2/c 1'
_symmetry_space_group_name_H-M 'C 1 2/c 1'
_symmetry_space_group_name_Hall '-C 2yc'
_space_group.IT_number 15

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 0.35586 0.1991 0.0444 0.93 1
SI1 Si 0.06729 0.1832 0.2896 0.53 1
SI2 Si 0.23983 0.0077 0.4621 0.46 1
AL1 Al 0.1161 0.0844 0.6006 0.56 1
AL2 Al 0.1999 0.3162 0.2858 0.51 1
O1 O 0.0695 0.0181 0.2162 0.73 1
O2 O 0.0725 0.1719 0.4626 0.84 1
O3 O 0.1222 0.2883 0.2295 0.89 1
O4 O 0.1722 0.0363 0.025 0.86 1
O5 O 0.2081 0.4669 0.4096 0.71 1
O6 O 0.2345 0.155 0.3605 0.84 1
O7 O 0.234 0.3599 0.1221 0.76 1
O8 O 0 0.2632 0.25 0.63 1
OH O1-(OH) 0.3523 0.2673 0.2918 1.11 1
H2O1 O2-(H2O) 0.0712 0.505 0.0159 2.62 1
H2O2 O2-(H2O) 0.4541 0.307 0.08 1.72 1
# End of data for Partheite