#*********************************************************************************
#
# Crystallographic Information File for Leonhardite
#
# Reference :
# Artioli, G., Smith, J.V. and Kvick, Å
# Zeolites, 9, 377-391, (1989)
#
#
# 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_Leonhardite
_chemical_name_systematic 'Leonhardite'

_cell_length_a 14.69
_cell_length_b 13.061
_cell_length_c 7.574
_cell_angle_alpha 90
_cell_angle_beta 112.01
_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
SI1 Si 0.2381 0.38177 0.15515 0.74 1
SI2 Si 0.08281 0.38285 0.32651 0.71 1
SI3 Si 0.12982 0.30997 0.73198 0.76 0.05
AL Al 0.12982 0.30997 0.73198 0.76 0.95
O1 O 0.25981 0.5 0.22658 0.9 1
O2 O 0.21108 0.37669 0.92717 0.96 1
O3 O 0.14973 0.3813 0.5533 1.01 1
O4 O 0.14659 0.33896 0.20664 0.94 1
O5 O 0.33598 0.31686 0.26834 0.94 1
O6 O 0.05002 0.5 0.26109 0.9 1
O7 O 0.01051 0.31005 0.71791 1.06 1
CA Ca 0.2754 0.5 0.75776 1.06 1
O11 O 0.41286 0.5 0.0357 2.64 0.13
O12 O 0.41489 0.45514 0.05147 1.78 0.311
O13 O 0.5 0.43199 0.5 1.97 0.45
O14 O 0.38445 0.4256 0.62407 1.57 0.327
O15 O 0.37628 0.38162 0.6589 2.39 0.2
O16 O 0.39527 0.37909 0.77087 2.91 0.286
O17 O 0.4029 0.38065 0.84035 1.38 0.143
O18 O 0.41917 0.37517 0.98301 1.55 0.113
H1 H 0.47394 0.43341 0.03731 3.13 0.224
H2 H 0.47076 0.5 0.05896 3.65 0.08
H3 H 0.45425 0.47073 0.11239 3.86 0.123
H4 H 0.40834 0.38935 0.12684 4.03 0.132
H5 H 0.41832 0.42092 0.16151 3.55 0.224
H6 H 0.44714 0.38924 0.41741 2.73 0.433
H7 H 0.37143 0.37046 0.52675 3.45 0.456
H8 H 0.36681 0.3941 0.53068 3.72 0.089
H9 H 0.42706 0.47454 0.59007 2.47 0.314
H10 H 0.42967 0.39404 0.66218 2.15 0.14
H11 H 0.41716 0.33596 0.73197 2.36 0.145
H12 H 0.44065 0.37303 0.73626 3.32 0.155
H13 H 0.38262 0.30594 0.74108 4.21 0.126
H14 H 0.37938 0.29567 0.81611 2.59 0.215
H15 H 0.40073 0.33226 0.82437 3.38 0.09
H16 H 0.47481 0.39229 0.89948 3.75 0.101
H17 H 0.41649 0.3117 0.9017 3.35 0.141
# End of data for Leonhardite