#*********************************************************************************<br>
#<br>
# Crystallographic Information File for Edingtonite <br>
#<br>
# Reference : <br>
#   Kvick, &Aring;. and Smith J.V.<br>
#   J. Chem. Phys., 79, 2356-2362, (1983)<br>
#<br>
#<br>
# CIF downloaded from the IZA-SC Database of Zeolite Structures<br>
# Ch. Baerlocher, L.B. McCusker and D.H. Brouwer<br>
# Database of Zeolite Structures: https://www.iza-structure.org/databases/ <br>
#<br>
#**********************************************************************************<br>


data_Edingtonite<br>
_chemical_name_systematic 'Edingtonite'<br><br>

_cell_length_a      9.537<br>
_cell_length_b      9.651<br>
_cell_length_c      6.509 <br>
_cell_angle_alpha   90 <br>
_cell_angle_beta    90 <br>
_cell_angle_gamma   90<br>
_cell_formula_units_Z   1<br>

<br>_space_group.name_H-M_ref   'P 21 21 2'<br>
_symmetry_space_group_name_H-M   'P 21 21 2'<br>
_symmetry_space_group_name_Hall  'P 2 2ab'<br>
_space_group.IT_number  18 <br>
<br>
 
 loop_<br>
_atom_site_label<br>
_atom_site_type_symbol<br>
_atom_site_fract_x<br>
_atom_site_fract_y<br>
_atom_site_fract_z<br>
_atom_site_B_iso_or_equiv<br>
_atom_site_occupancy<br>
BA  Ba  0.5  0  0.63117  1.24  0.974<br>
SI1  Si  0  0  0.01365  0.55  1<br>
SI2  Si  -0.17568  0.09407  0.38762  0.57  1<br>
AL1  Al  0.09245  0.17139  0.62657  0.42  1<br>
O1  O  0.17414  0.33126  0.63273  0.68  1<br>
O2  O  -0.05301  0.19639  0.46728  0.67  1<br>
O3  O  0.19836  0.03763  0.53741  0.78  1<br>
O4  O  0.03649  0.13362  0.87695  1.16  1<br>
O5  O  -0.13505  0.03586  0.15743  1.03  1<br>
H1  H  0.13081  0.26044  0.0562  3.03  0.844<br>
H2  H  0.23738  0.36941  0.06351  6.97  0.844<br>
O6  O  0.17627  0.32248  0.14994  1.73  0.844<br>
H3  H  0.30048  0.08839  0.04942  6.68  0.909<br>
H4  H  0.41511  0.2044  0.03767  4.22  0.909<br>
O7  O  0.37851  0.122  -0.02375  3.2  0.909<br>

# End of data for Edingtonite<br>