#*********************************************************************************
#
# Crystallographic Information File for Scolecite
#
# Reference :
# Smith, J.V., Pluth, J.J., Artioli, G. and Ross, F.K.
# Proc. 6th Int. Zeolite Conf., , pp. 842-850, (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_Scolecite
_chemical_name_systematic 'Scolecite'

_cell_length_a 6.5222
_cell_length_b 18.9678
_cell_length_c 9.8398
_cell_angle_alpha 90
_cell_angle_beta 109.972
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'C 1 c 1'
_symmetry_space_group_name_H-M 'C 1 c 1'
_symmetry_space_group_name_Hall 'C -2yc'
_space_group.IT_number 9

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
CA1 Ca 0.16217 0.14321 0.05204 0.76 1
SI1 Si 0.5 0.37057 0 0.44 1
SI2 Si 0.22996 0.33185 0.20022 0.43 1
SI3 Si 0.54002 0.08259 0.33102 0.42 1
AL1 Al 0.93441 0.46209 0.09971 0.45 1
AL2 Al 0.35577 0.21663 0.43387 0.43 1
O1 O 0.5425 0.03146 0.4608 0.85 1
O2 O 0.4471 0.04597 0.1174 0.66 1
O3 O 0.3834 0.15127 0.3157 0.77 1
O4 O 0.1153 0.19942 0.4684 0.79 1
O5 O 0.3536 0.29954 0.3584 0.63 1
O6 O 0.0863 0.27133 0.0907 0.8 1
O7 O 0.4143 0.3586 0.1343 0.91 1
O8 O 0.0764 0.39545 0.215 0.89 1
O9 O 0.7889 0.11007 0.3566 0.82 1
O10 O 0.6603 0.43692 0.0339 0.92 1
H2O1 O2-(H2O) 0.8906 0.0803 0.1082 2.22 1
H2O2 O2-(H2O) 0.908 0.3263 0.4407 2.33 1
H2O3 O2-(H2O) 0.5787 0.4454 0.3742 1.81 1
# End of data for Scolecite