#*********************************************************************************
#
# Crystallographic Information File for Gobbinsite
#
# Reference :
# McCusker, L.B., Baerlocher, Ch. and Nawaz, R.
# Z. Kristallogr., 171, 281-289, (1985)
#
#
# 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_Gobbinsite
_chemical_name_systematic 'Gobbinsite'
_cell_length_a 10.108
_cell_length_b 9.766
_cell_length_c 10.171
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P m n 21'
_symmetry_space_group_name_H-M 'P m n 21'
_symmetry_space_group_name_Hall 'P 2ac -2'
_space_group.IT_number 31
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 0.247 0.228 0.284 9.16 0.65
K1 K 0.5 -0.071 0.615 9.16 0.85
SI1 Si 0.156 0.432 -0.191 2.05 0.625
SI2 Si 0.154 0.11 -0.242 2.05 0.625
SI3 Si 0.345 0.073 0 2.05 0.625
SI4 Si 0.348 0.389 0.048 2.05 0.625
AL1 Al 0.156 0.432 -0.191 2.05 0.375
AL2 Al 0.154 0.11 -0.242 2.05 0.375
AL3 Al 0.345 0.073 0 2.05 0.375
AL4 Al 0.348 0.389 0.048 2.05 0.375
O1 O 0.186 0.275 -0.241 1.82 1
O2 O 0 0.441 -0.162 1.82 1
O3 O 0.2 0.538 -0.309 1.82 1
O4 O 0.254 0.459 -0.061 1.82 1
O5 O 0 0.074 -0.197 1.82 1
O6 O 0.198 0.048 -0.394 1.82 1
O7 O 0.254 0.046 -0.138 1.82 1
O8 O 0.312 0.226 0.059 1.82 1
O9 O 0.5 0.073 -0.026 1.82 1
O10 O 0.5 0.414 0.009 1.82 1
H2O1 O2-(H2O) 0.5 0.243 0.321 9.16 1.1
H2O2 O2-(H2O) 0 0.395 0.146 9.16 1.45
H2O3 O2-(H2O) 0 0.314 0.306 9.16 0.9
H2O4 O2-(H2O) 0.341 0.271 0.559 9.16 1.275
H2O5 O2-(H2O) 0.5 0.338 0.6 9.16 1.45
# End of data for Gobbinsite