#*********************************************************************************
#
# Crystallographic Information File for Maricopaite, interrupted MOR framework
#
# Reference :
# Rouse, R.C. and Peacor, D.R.
# Am. Mineral., 79, 175-184, (1994)
#
#
# 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_Maricopaite_interrupted_MOR_framework
_chemical_name_systematic 'Maricopaite, interrupted MOR framework'

_cell_length_a 19.432
_cell_length_b 19.702
_cell_length_c 7.538
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'C m 2 m'
_symmetry_space_group_name_H-M 'C m 2 m'
_symmetry_space_group_name_Hall 'C -2 -2'
_space_group.IT_number 38

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
Pb1 Pb 0.0975 0.1044 0.5 2.25 0.83
Pb2 Pb 0.0977 0.8988 0 1.83 0.245
Pb3 Pb 0 0.9662 0.2377 2.29 0.622
Pb4 Pb 0 0.0359 0.2516 3.4 0.175
Si1 Si 0.179 0.2907 0.2956 1.17 0.736
Si2 Si 0.3211 0.2169 0.2043 1.38 0.735
Si3 Si 0.2546 0.9283 0.2076 1.18 0.736
Si4 Si 0.1395 0.9238 0.5 1 0.736
Si5 Si 0.1342 0.0843 0 1.1 1
Si6 Si 0.2554 0.0779 0.2885 1.26 0.736
Si7 Si 0.0794 0.2311 0 1.6 0.736
Si8 Si 0.0817 0.7763 0.5 1.1 0.736
Al1 Al 0.179 0.2907 0.2956 1.17 0.264
Al2 Al 0.3211 0.2169 0.2043 1.38 0.264
Al3 Al 0.2546 0.9283 0.2076 1.18 0.264
Al4 Al 0.1395 0.9238 0.5 1 0.234
Al6 Al 0.2554 0.0779 0.2885 1.26 0.234
Al7 Al 0.0794 0.2311 0 1.6 0.234
Al8 Al 0.0817 0.7763 0.5 1.1 0.234
O1 O 0.1861 0.92 0.325 2.9 1
O2 O 0.081 0.144 0 2.3 1
O3 O 0.0932 0.9916 0.5 3.8 1
O4 O 0.0862 0.8586 0.5 1.4 1
O5 O 0.3443 0.2307 0 2.2 1
O6 O 0.182 0.0864 0.1811 1.7 1
O7 O 0.3134 0.1342 0.2417 2.3 1
O8 O 0.1607 0.2769 0.5 3.5 1
O9 O 0.0863 0.0162 0 2.4 1
O10 O 0.1865 0.3708 0.2641 2 1
O11 O 0.25 0.2536 0.2506 3.6 1
O12 O 0.1164 0.2604 0.1761 3 1
O13 O 0.3832 0.2424 0.3218 3.3 1
O14 O 0.2897 0.003 0.246 2.5 1
O15 O 0.2278 0.9219 0 2.5 1
O16 O 0.234 0.0838 0.5 2 1
O17 O 0 0.253 0 2.5 1
O18 O 0 0.7557 0.5 2.6 1
H2O19 O2-(H2O) 0 0.0828 0.3098 2.2 0.925
H2O20 O2-(H2O) 0 0.231 0.5 2.6 0.95
H2O21 O2-(H2O) 0.085 0.561 0 2.6 0.6
H2O22 O2-(H2O) 0 0.501 0.099 2.6 0.5
H2O23 O2-(H2O) 0.061 0.594 0.5 2.6 0.275
H2O24 O2-(H2O) 0.077 0.456 0.241 2.6 0.175
H2O25 O2-(H2O) 0.074 0.457 0.385 2.6 0.2
H2O26 O2-(H2O) 0.079 0.871 0 2.6 0.575
H2O27 O2-(H2O) 0.07 0.151 0.5 2.6 0.175
H2O28 O2-(H2O) 0 0.933 0.215 2.6 0.475
# End of data for Maricopaite_interrupted_MOR_framework