#*********************************************************************************
#
# Crystallographic Information File for Nabesite
#
# Reference :
# Petersen, O.V., Giester, G., Brandstätter, F. and Niedermayr, G.
# Can. Mineral., 40, 173-181, (2002)
#
#
# 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_Nabesite
_chemical_name_systematic 'Nabesite'
_cell_length_a 9.748
_cell_length_b 10.133
_cell_length_c 11.954
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P 21 21 21'
_symmetry_space_group_name_H-M 'P 21 21 21'
_symmetry_space_group_name_Hall 'P 2ac 2ab'
_space_group.IT_number 19
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
Na1 Na 0.02823 0.1966 0.81506 2.27 1
Na2 Na 0.37372 0.25369 0.73922 3.52 1
Be Be 0.24232 0.26224 0.25678 0.66 1
Si1 Si 0.08393 0.35478 0.06419 0.59 1
Si2 Si 0.39961 0.36283 0.44722 0.6 1
Si3 Si 0.29128 0.14866 0.03408 0.66 1
Si4 Si 0.20023 0.14856 0.47842 0.61 1
O1 O 0.1193 0.34407 0.19374 0.96 1
O2 O 0.12092 0.49694 0.01041 1.35 1
O3 O -0.07946 0.32732 0.04934 1.13 1
O4 O 0.16731 0.24433 -0.00928 0.88 1
O5 O 0.34741 0.36353 0.32118 0.95 1
O6 O 0.56197 0.32609 0.44915 1.26 1
O7 O 0.3158 0.25353 0.52237 0.89 1
O8 O 0.32791 0.1782 0.16101 1.02 1
O9 O 0.24094 -0.0034 0.01423 1.08 1
O10 O 0.17608 0.15933 0.34733 1.17 1
OW1 O2-(H2O) 0.22056 0.07549 0.76168 2.18 1
OW2 O2-(H2O) 0.16099 0.3752 0.73814 2.49 1
OW3 O2-(H2O) -0.05881 0.0208 0.94934 2.99 1
OW4 O2-(H2O) 0.47439 0.44438 0.80888 3.11 1
H1 H 0.249 0.009 0.807 5.21 1
H2 H 0.209 0.049 0.689 5.29 1
H3 H 0.171 0.442 0.759 3.55 1
H4 H 0.095 0.383 0.699 4.65 1
H5 H -0.077 0.029 1.0225 3.71 1
H6 H 0.034 0.011 0.959 8.05 1
H7 H 0.446 0.527 0.788 5.84 1
H8 H 0.554 0.404 0.765 5.92 1
# End of data for Nabesite