#*********************************************************************************<br>
#<br>
# Crystallographic Information File for Montesommaite <br>
#<br>
# Reference : <br>
#   Rouse, R.C., Dunn, P.J., Grice, J.D., Schlenker, J.L. and Higgins, J.B.<br>
#   Am. Mineral., 75, 1415-1420, (1990)<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_Montesommaite<br>
_chemical_name_systematic 'Montesommaite'<br><br>

_cell_length_a      7.141<br>
_cell_length_b      7.141<br>
_cell_length_c      17.307 <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   'I 41/a m d'<br>
_symmetry_space_group_name_H-M   'I 41/a m d'<br>
_symmetry_space_group_name_Hall  '-I 4bd 2'<br>
_space_group.IT_number  141 <br>
_space_group.IT_coordinate_system_code  '2'<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>
K1  K  0  0  0.5  1.97  0.53<br>
SI  Si  0  0.463  0.09  0.39  0.706<br>
AL  Al  0  0.463  0.09  0.39  0.294<br>
O1  O  0  0.25  0.116  1.18  1<br>
O2  O  0.186  0.436  0.875  1.18  1<br>
O3  O  0  0  0  1.18  1<br>
H2O1  O2-(H2O)  0  0.25  0.342  1.18  0.5<br>

# End of data for Montesommaite<br>