#*********************************************************************************
#
# Crystallographic Information File for Dachiardite
#
# Reference :
# Vezzalini, G.
# Z. Kristallogr., 166, 63-71, (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_Dachiardite
_chemical_name_systematic 'Dachiardite'
_cell_length_a 18.676
_cell_length_b 7.518
_cell_length_c 10.246
_cell_angle_alpha 90
_cell_angle_beta 107.87
_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
K1 K 0.4544 0 0.4626 10.3 0.156
CA Ca -0.0091 0.2598 0.1297 7.8 0.345
SI11 Si 0.2905 0.2084 0.1496 1.2 0.4
SI12 Si 0.2846 0.2053 0.166 1.1 0.4
SI21 Si 0.1914 0.2901 0.3371 1.3 0.4
SI22 Si 0.1929 0.2978 0.3714 1 0.4
SI3 Si 0.0964 0 0.7007 1.1 0.8
SI4 Si 0.0816 0 0.3793 1.2 0.8
AL11 Al 0.2905 0.2084 0.1496 1.2 0.1
AL12 Al 0.2846 0.2053 0.166 1.1 0.1
AL21 Al 0.1914 0.2901 0.3371 1.3 0.1
AL22 Al 0.1929 0.2978 0.3714 1 0.1
AL3 Al 0.0964 0 0.7007 1.1 0.2
AL4 Al 0.0816 0 0.3793 1.2 0.2
O1 O 0.3636 0.3239 0.2168 3.3 1
O2 O 0.1162 0.177 0.3265 3.1 1
O31 O 0.2188 0.2642 0.207 2.4 0.5
O32 O 0.2382 0.237 0.2652 4.3 0.5
O4 O 0.1002 0 0.5457 4.3 1
O5 O 0.1688 0.5 0.3487 4 1
O6 O 0.3098 0 0.1759 3.5 1
O7 O 0.2335 0.2452 0.0131 3.2 0.5
O8 O 0.2427 0.2777 0.5249 2.9 0.5
O9 O 0.0103 0 0.708 1.9 1
H2O1 O2-(H2O) -0.0084 0.5 0.2668 5.4 1
H2O2 O2-(H2O) 0.0884 0 0.033 6.7 0.5
H2O3 O2-(H2O) 0.0694 0.1037 0.0261 7.5 0.25
H2O4 O2-(H2O) 0.0724 0.3931 0.0258 6.5 0.25
H2O5 O2-(H2O) 0.086 0.5 0.031 6 0.5
# End of data for Dachiardite