#*********************************************************************************
#
# Crystallographic Information File for Amicite
#
# Reference :
# Alberti, A. and Vezzalini, G.
# Acta Crystallogr., B35, 2866-2869, (1979)
#
#
# 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_Amicite
_chemical_name_systematic 'Amicite'

_cell_length_a 10.226
_cell_length_b 10.422
_cell_length_c 9.884
_cell_angle_alpha 90
_cell_angle_beta 88.315
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'I 1 2 1'
_symmetry_space_group_name_H-M 'I 1 2 1'
_symmetry_space_group_name_Hall 'I 2y'
_space_group.IT_number 5

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 0.4312 0.2559 0.6716 2.53 0.9
K1 K 0.3071 -0.004 0.9692 2.09 0.94
SI1 Si 0.1523 -0.0133 0.3261 0.46 1
SI2 Si 0.1534 0.2615 0.8263 0.4 1
AL1 Al 0.1546 0.2491 0.1546 0.43 1
AL2 Al 0.1582 0.0027 0.6512 0.44 1
O1 O 0.001 -0.0471 0.3037 1.21 1
O2 O -0.003 0.2956 0.2047 1.14 1
O3 O 0.2031 0.1401 0.7354 0.96 1
O4 O 0.181 0.0304 0.4785 1.18 1
O5 O 0.1712 0.2264 0.9833 1.13 1
O6 O 0.1989 0.1018 0.2263 1 1
O7 O 0.262 0.361 0.2184 1.09 1
O8 O 0.7558 0.3812 0.2177 0.73 1
H2O1 O2-(H2O) 0.3435 0.2507 0.4539 2.65 0.85
H2O2 O2-(H2O) 0.4779 0.0682 0.2179 2.76 0.85
H2O3 O2-(H2O) 0 0.3191 0.5 2.7 1
H2O4 O2-(H2O) 0.5 0.4729 0.5 2.35 0.53
# End of data for Amicite